N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide

C13H13N5OS — CID 79003916

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C13H13N5OS/c1-18-5-4-16-11(18)12(19)17-13-9(6-14)8-2-3-15-7-10(8)20-13/h4-5,15H,2-3,7H2,1H3,(H,17,19)
InChIKeyQYGQUNXNKIWRPL-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.25
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide (PubChem CID 79003916) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
PubChem CID79003916
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1sc2c(c1C#N)CCNC2
InChIInChI=1S/C13H13N5OS/c1-18-5-4-16-11(18)12(19)17-13-9(6-14)8-2-3-15-7-10(8)20-13/h4-5,15H,2-3,7H2,1H3,(H,17,19)
InChIKeyQYGQUNXNKIWRPL-UHFFFAOYSA-N
XLogP1.25
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide (CID 79003916) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1sc2c(c1C#N)CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is QYGQUNXNKIWRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-18-5-4-16-11(18)12(19)17-13-9(6-14)8-2-3-15-7-10(8)20-13/h4-5,15H,2-3,7H2,1H3,(H,17,19).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 79003916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).