4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C110H133Cl2N25O15S10 — CID 157379189

IUPAC4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1cnc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.Cc1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1
InChIInChI=1S/C24H31N5O3S2.2C22H27N5O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;1-16-13-31-22(25-16)32(28,29)14-17-3-2-6-27(12-17)21-19-5-4-18(11-20(19)23-15-24-21)26-7-9-30-10-8-26;1-16-12-23-22(31-16)32(28,29)14-17-3-2-6-27(13-17)21-19-5-4-18(11-20(19)24-15-25-21)26-7-9-30-10-8-26;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;4-5,11,13,15,17H,2-3,6-10,12,14H2,1H3;4-5,11-12,15,17H,2-3,6-10,13-14H2,1H3;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;;2*15-/m...10/s1
InChIKeyBKRDCPAMNIYZLB-HLSXXQFHSA-N
MW2437.01 g/mol
LogP16.11
Rot. Bonds26

About 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 157379189) has the molecular formula C110H133Cl2N25O15S10 and a molecular weight of 2437.01 g/mol. Its IUPAC name is 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID157379189
Molecular FormulaC110H133Cl2N25O15S10
Molecular Weight2437.01 g/mol
Exact Mass2433.70
IUPAC Name4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1cnc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.Cc1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1
InChIInChI=1S/C24H31N5O3S2.2C22H27N5O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;1-16-13-31-22(25-16)32(28,29)14-17-3-2-6-27(12-17)21-19-5-4-18(11-20(19)23-15-24-21)26-7-9-30-10-8-26;1-16-12-23-22(31-16)32(28,29)14-17-3-2-6-27(13-17)21-19-5-4-18(11-20(19)24-15-25-21)26-7-9-30-10-8-26;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;4-5,11,13,15,17H,2-3,6-10,12,14H2,1H3;4-5,11-12,15,17H,2-3,6-10,13-14H2,1H3;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;;2*15-/m...10/s1
InChIKeyBKRDCPAMNIYZLB-HLSXXQFHSA-N
XLogP16.11
TPSA442.60 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.01
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Analyze 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

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Related Compounds

4-[4-[1-(Benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;bis(4-[4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine);methane
CID 157361492
4-[4-[3-[difluoro(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[fluoro(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;(E)-N-methoxy-1-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)methanimine;4-[4-[3-[methoxy(1,3-thiazol-5-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanamine;(NE)-N-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methylidene]hydroxylamine;4-[4-[3-(1,3-thiazol-2-ylmethyl)-1,3-diazinan-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(1,3-thiazol-4-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(1,3-thiazol-5-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(thiophen-2-ylmethyl)-1,3-diazinan-1-yl]quinazolin-7-yl]morpholine
CID 172983924
2,2-Dimethylpropane;4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 144251345
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[3-(thiophen-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 157227019
N-[5-[[1-(2-chloro-7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]acetamide;N-[4-methyl-5-[[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methylsulfonyl]-1,3-thiazol-2-yl]acetamide
CID 157546121
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;N-methyl-N-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1,3-thiazole-2-sulfonamide;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 157592242
(4,5-Dimethyl-1,3-thiazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;(4-methyl-1,3-thiazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol;(5-methyl-1,3-thiazol-2-yl)-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]methanol;[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-(1,3-thiazol-2-yl)methanone
CID 158104858
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;6-butylsulfinyl-2-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158189890
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158221919
4-[4-[3-[3-methylbutoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;N-methyl-N-[1-(7-morpholin-4-ylquinazolin-4-yl)piperidin-3-yl]-1,3-thiazole-2-sulfonamide;4-[4-[3-[2-morpholin-4-ylethoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[2-pyrrolidin-1-ylethoxy(1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
CID 158247074
3-[[2-(Diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide;3-[(2-morpholin-4-yl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;3-[(2-piperidin-1-yl-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]benzenesulfonamide;[8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate
CID 158437104
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine;6-butylsulfinyl-2-phenyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine;2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-6-morpholin-4-yl-2-propylsulfinylthieno[2,3-b]pyridin-3-amine;4-methyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-propan-2-ylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 158746247

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 157379189) is 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is CC(C)c1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1cnc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.Cc1csc(S(=O)(=O)CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.O=S(=O)(C[C@@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.O=S(=O)(C[C@H]1CCCN(c2nc(Cl)nc3cc(N4CCOCC4)ccc23)C1)c1nccs1.
What is the InChIKey of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is BKRDCPAMNIYZLB-HLSXXQFHSA-N. The full InChI is InChI=1S/C24H31N5O3S2.2C22H27N5O3S2.2C21H24ClN5O3S2/c1-17(2)22-14-33-24(27-22)34(30,31)15-18-4-3-7-29(13-18)23-20-6-5-19(12-21(20)25-16-26-23)28-8-10-32-11-9-28;1-16-13-31-22(25-16)32(28,29)14-17-3-2-6-27(12-17)21-19-5-4-18(11-20(19)23-15-24-21)26-7-9-30-10-8-26;1-16-12-23-22(31-16)32(28,29)14-17-3-2-6-27(13-17)21-19-5-4-18(11-20(19)24-15-25-21)26-7-9-30-10-8-26;2*22-20-24-18-12-16(26-7-9-30-10-8-26)3-4-17(18)19(25-20)27-6-1-2-15(13-27)14-32(28,29)21-23-5-11-31-21/h5-6,12,14,16-18H,3-4,7-11,13,15H2,1-2H3;4-5,11,13,15,17H,2-3,6-10,12,14H2,1H3;4-5,11-12,15,17H,2-3,6-10,13-14H2,1H3;2*3-5,11-12,15H,1-2,6-10,13-14H2/t;;;2*15-/m...10/s1.
What are the key properties of 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 2437.01 g/mol, XLogP of 16.11, 26 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[(3R)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[2-chloro-4-[(3S)-3-(1,3-thiazol-2-ylsulfonylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine;4-[4-[3-[(4-propan-2-yl-1,3-thiazol-2-yl)sulfonylmethyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 157379189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).