N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate

C149H185Cl8N39O20S8 — CID 160920887

IUPACN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate
SMILESC=C(C)N1CCC[C@H]1CC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOC(=O)CCNC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOCCN(C)C(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.COc1cc(N2CCc3nc(NC(=O)CC4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N(C)CCOCC4CC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl
InChIInChI=1S/C21H26ClN5O2S.C20H26ClN5O3S.C19H23ClN4O2S.C18H22ClN5O4S.C18H24ClN5O3S.2C18H22ClN5O2S.C17H20ClN5O2S/c1-13(2)27-7-4-5-14(27)10-19(28)25-21-24-16-6-8-26(12-18(16)30-21)15-9-17(29-3)20(22)23-11-15;1-25(7-8-29-12-13-3-4-13)20(27)24-19-23-15-5-6-26(11-17(15)30-19)14-9-16(28-2)18(21)22-10-14;1-26-15-9-13(10-21-18(15)20)24-7-6-14-16(11-24)27-19(22-14)23-17(25)8-12-4-2-3-5-12;1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11;1-4-27-8-7-23(2)18(25)22-17-21-13-5-6-24(11-15(13)28-17)12-9-14(26-3)16(19)20-10-12;2*1-26-14-9-12(10-20-16(14)19)24-8-5-13-15(11-24)27-17(21-13)22-18(25)23-6-3-2-4-7-23;1-25-13-8-11(9-19-15(13)18)23-7-4-12-14(10-23)26-16(20-12)21-17(24)22-5-2-3-6-22/h9,11,14H,1,4-8,10,12H2,2-3H3,(H,24,25,28);9-10,13H,3-8,11-12H2,1-2H3,(H,23,24,27);9-10,12H,2-8,11H2,1H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26);9-10H,4-8,11H2,1-3H3,(H,21,22,25);2*9-10H,2-8,11H2,1H3,(H,21,22,25);8-9H,2-7,10H2,1H3,(H,20,21,24)/t14-;;;;;;;/m0......./s1
InChIKeySRZYHVNZMLVTJX-WHVLBGNBSA-N
MW3382.53 g/mol
LogP29.08
Rot. Bonds42

About N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate

N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate (PubChem CID 160920887) has the molecular formula C149H185Cl8N39O20S8 and a molecular weight of 3382.53 g/mol. Its IUPAC name is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate.

Molecular Properties

Compound NameN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate
PubChem CID160920887
Molecular FormulaC149H185Cl8N39O20S8
Molecular Weight3382.53 g/mol
Exact Mass3375.99
IUPAC NameN-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate
SMILESC=C(C)N1CCC[C@H]1CC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOC(=O)CCNC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOCCN(C)C(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.COc1cc(N2CCc3nc(NC(=O)CC4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N(C)CCOCC4CC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl
InChIInChI=1S/C21H26ClN5O2S.C20H26ClN5O3S.C19H23ClN4O2S.C18H22ClN5O4S.C18H24ClN5O3S.2C18H22ClN5O2S.C17H20ClN5O2S/c1-13(2)27-7-4-5-14(27)10-19(28)25-21-24-16-6-8-26(12-18(16)30-21)15-9-17(29-3)20(22)23-11-15;1-25(7-8-29-12-13-3-4-13)20(27)24-19-23-15-5-6-26(11-17(15)30-19)14-9-16(28-2)18(21)22-10-14;1-26-15-9-13(10-21-18(15)20)24-7-6-14-16(11-24)27-19(22-14)23-17(25)8-12-4-2-3-5-12;1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11;1-4-27-8-7-23(2)18(25)22-17-21-13-5-6-24(11-15(13)28-17)12-9-14(26-3)16(19)20-10-12;2*1-26-14-9-12(10-20-16(14)19)24-8-5-13-15(11-24)27-17(21-13)22-18(25)23-6-3-2-4-7-23;1-25-13-8-11(9-19-15(13)18)23-7-4-12-14(10-23)26-16(20-12)21-17(24)22-5-2-3-6-22/h9,11,14H,1,4-8,10,12H2,2-3H3,(H,24,25,28);9-10,13H,3-8,11-12H2,1-2H3,(H,23,24,27);9-10,12H,2-8,11H2,1H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26);9-10H,4-8,11H2,1-3H3,(H,21,22,25);2*9-10H,2-8,11H2,1H3,(H,21,22,25);8-9H,2-7,10H2,1H3,(H,20,21,24)/t14-;;;;;;;/m0......./s1
InChIKeySRZYHVNZMLVTJX-WHVLBGNBSA-N
XLogP29.08
TPSA615.03 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds42
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003382.53
LogP ≤ 529.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate?
The IUPAC name of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate (CID 160920887) is N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate.
What is the SMILES notation for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate?
The canonical SMILES for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate is C=C(C)N1CCC[C@H]1CC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOC(=O)CCNC(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.CCOCCN(C)C(=O)Nc1nc2c(s1)CN(c1cnc(Cl)c(OC)c1)CC2.COc1cc(N2CCc3nc(NC(=O)CC4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N(C)CCOCC4CC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl.COc1cc(N2CCc3nc(NC(=O)N4CCCCC4)sc3C2)cnc1Cl.
What is the InChIKey of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate?
The InChIKey is SRZYHVNZMLVTJX-WHVLBGNBSA-N. The full InChI is InChI=1S/C21H26ClN5O2S.C20H26ClN5O3S.C19H23ClN4O2S.C18H22ClN5O4S.C18H24ClN5O3S.2C18H22ClN5O2S.C17H20ClN5O2S/c1-13(2)27-7-4-5-14(27)10-19(28)25-21-24-16-6-8-26(12-18(16)30-21)15-9-17(29-3)20(22)23-11-15;1-25(7-8-29-12-13-3-4-13)20(27)24-19-23-15-5-6-26(11-17(15)30-19)14-9-16(28-2)18(21)22-10-14;1-26-15-9-13(10-21-18(15)20)24-7-6-14-16(11-24)27-19(22-14)23-17(25)8-12-4-2-3-5-12;1-3-28-15(25)4-6-20-17(26)23-18-22-12-5-7-24(10-14(12)29-18)11-8-13(27-2)16(19)21-9-11;1-4-27-8-7-23(2)18(25)22-17-21-13-5-6-24(11-15(13)28-17)12-9-14(26-3)16(19)20-10-12;2*1-26-14-9-12(10-20-16(14)19)24-8-5-13-15(11-24)27-17(21-13)22-18(25)23-6-3-2-4-7-23;1-25-13-8-11(9-19-15(13)18)23-7-4-12-14(10-23)26-16(20-12)21-17(24)22-5-2-3-6-22/h9,11,14H,1,4-8,10,12H2,2-3H3,(H,24,25,28);9-10,13H,3-8,11-12H2,1-2H3,(H,23,24,27);9-10,12H,2-8,11H2,1H3,(H,22,23,25);8-9H,3-7,10H2,1-2H3,(H2,20,22,23,26);9-10H,4-8,11H2,1-3H3,(H,21,22,25);2*9-10H,2-8,11H2,1H3,(H,21,22,25);8-9H,2-7,10H2,1H3,(H,20,21,24)/t14-;;;;;;;/m0......./s1.
What are the key properties of N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate?
N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate has a molecular weight of 3382.53 g/mol, XLogP of 29.08, 42 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-cyclopentylacetamide;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-[2-(cyclopropylmethoxy)ethyl]-1-methylurea;3-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1-(2-ethoxyethyl)-1-methylurea;bis(N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-1-carboxamide);N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-[(2S)-1-prop-1-en-2-ylpyrrolidin-2-yl]acetamide;N-[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrrolidine-1-carboxamide;ethyl 3-[[5-(6-chloro-5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]propanoate is sourced from PubChem (CID 160920887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).