5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C42H47ClN14O6S2 — CID 167566770

IUPAC5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC1CCNC1.COc1cc(-n2cnc(Nc3nc(Cl)nc4scnc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4scnc34)c2)cc(OC)c1OC
InChIInChI=1S/C21H23N7O3S.C17H15ClN6O3S.C4H9N/c1-29-14-8-13(9-15(30-2)18(14)31-3)28-10-16(22-11-28)24-19-17-20(32-12-23-17)26-21(25-19)27-6-4-5-7-27;1-25-10-4-9(5-11(26-2)14(10)27-3)24-6-12(19-7-24)21-15-13-16(28-8-20-13)23-17(18)22-15;1-2-4-5-3-1/h8-12H,4-7H2,1-3H3,(H,24,25,26);4-8H,1-3H3,(H,21,22,23);5H,1-4H2
InChIKeyFJQXYRVSDJBAGQ-UHFFFAOYSA-N
MW943.52 g/mol
LogP7.71
Rot. Bonds13

About 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 167566770) has the molecular formula C42H47ClN14O6S2 and a molecular weight of 943.52 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID167566770
Molecular FormulaC42H47ClN14O6S2
Molecular Weight943.52 g/mol
Exact Mass942.29
IUPAC Name5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC1CCNC1.COc1cc(-n2cnc(Nc3nc(Cl)nc4scnc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4scnc34)c2)cc(OC)c1OC
InChIInChI=1S/C21H23N7O3S.C17H15ClN6O3S.C4H9N/c1-29-14-8-13(9-15(30-2)18(14)31-3)28-10-16(22-11-28)24-19-17-20(32-12-23-17)26-21(25-19)27-6-4-5-7-27;1-25-10-4-9(5-11(26-2)14(10)27-3)24-6-12(19-7-24)21-15-13-16(28-8-20-13)23-17(18)22-15;1-2-4-5-3-1/h8-12H,4-7H2,1-3H3,(H,24,25,26);4-8H,1-3H3,(H,21,22,23);5H,1-4H2
InChIKeyFJQXYRVSDJBAGQ-UHFFFAOYSA-N
XLogP7.71
TPSA207.69 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.52
LogP ≤ 57.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

[(2S)-1-[2-(3,4,5-trimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 127043299
7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 127044518
N-(3,4,5-trimethoxyphenyl)-8-thia-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 71456636
(S)-1-((2-(2-(hydroxymethyl)pyrrolidin-1-yl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[2,3-d]pyrimidin-6-yl)methyl)piperidin-4-ol
CID 137363147
(R)-(1-(2-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 137363208
(S)-(1-(6-(pyrrolidin-1-ylmethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 137363236
5-(pyrrolidin-1-yl)-N-(1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 137363377
(S)-1-(5-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thiazolo[5,4-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 137363472
(R)-(1-(7-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thiazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-2-yl)methanol
CID 142497900
(S)-(1-(6-(piperidin-1-ylmethyl)-4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 142497959
(R)-(1-(4-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[3,2-d]pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 142498058
(S)-(1-(2-((1-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl)amino)thieno[3,2-d]pyrimidin-4-yl)pyrrolidin-2-yl)methanol
CID 142498060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 167566770) is 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is C1CCNC1.COc1cc(-n2cnc(Nc3nc(Cl)nc4scnc34)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4scnc34)c2)cc(OC)c1OC.
What is the InChIKey of 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is FJQXYRVSDJBAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S.C17H15ClN6O3S.C4H9N/c1-29-14-8-13(9-15(30-2)18(14)31-3)28-10-16(22-11-28)24-19-17-20(32-12-23-17)26-21(25-19)27-6-4-5-7-27;1-25-10-4-9(5-11(26-2)14(10)27-3)24-6-12(19-7-24)21-15-13-16(28-8-20-13)23-17(18)22-15;1-2-4-5-3-1/h8-12H,4-7H2,1-3H3,(H,24,25,26);4-8H,1-3H3,(H,21,22,23);5H,1-4H2.
What are the key properties of 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 943.52 g/mol, XLogP of 7.71, 13 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;pyrrolidine;5-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 167566770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).