N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide

C14H8ClN5OS — CID 86689618

IUPACN-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1csc2cnc(Cl)nc12
InChIInChI=1S/C14H8ClN5OS/c15-13-16-5-10-11(19-13)7(6-22-10)12(21)20-14-17-8-3-1-2-4-9(8)18-14/h1-6H,(H2,17,18,20,21)
InChIKeyPGTXGIHXDCOREA-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.47
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide

N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 86689618) has the molecular formula C14H8ClN5OS and a molecular weight of 329.77 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID86689618
Molecular FormulaC14H8ClN5OS
Molecular Weight329.77 g/mol
Exact Mass329.01
IUPAC NameN-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1csc2cnc(Cl)nc12
InChIInChI=1S/C14H8ClN5OS/c15-13-16-5-10-11(19-13)7(6-22-10)12(21)20-14-17-8-3-1-2-4-9(8)18-14/h1-6H,(H2,17,18,20,21)
InChIKeyPGTXGIHXDCOREA-UHFFFAOYSA-N
XLogP3.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1,5-naphthyridin-2-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 86689619
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N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
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5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27649612
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
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CID 81241343

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide (CID 86689618) is N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1csc2cnc(Cl)nc12.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is PGTXGIHXDCOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN5OS/c15-13-16-5-10-11(19-13)7(6-22-10)12(21)20-14-17-8-3-1-2-4-9(8)18-14/h1-6H,(H2,17,18,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide?
N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 329.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-chlorothieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 86689618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).