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

C13H14N6OS — CID 43599690

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESN#Cc1c(NC(=O)CCn2cncn2)sc2c1CCNC2
InChIInChI=1S/C13H14N6OS/c14-5-10-9-1-3-15-6-11(9)21-13(10)18-12(20)2-4-19-8-16-7-17-19/h7-8,15H,1-4,6H2,(H,18,20)
InChIKeyZSTUTNVMBAUACP-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.89
Rot. Bonds4

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

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43599690) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43599690
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESN#Cc1c(NC(=O)CCn2cncn2)sc2c1CCNC2
InChIInChI=1S/C13H14N6OS/c14-5-10-9-1-3-15-6-11(9)21-13(10)18-12(20)2-4-19-8-16-7-17-19/h7-8,15H,1-4,6H2,(H,18,20)
InChIKeyZSTUTNVMBAUACP-UHFFFAOYSA-N
XLogP0.89
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)but-3-ynamide
CID 114028602
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-3-ylacetamide
CID 62688841
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
CID 43599753
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-thiophen-2-ylpropanamide
CID 68636768
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-pyridin-2-ylacetamide
CID 43599763
3-(3-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)propanamide
CID 68634738
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-methylimidazole-2-carboxamide
CID 79003916
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)morpholine-4-carboxamide
CID 78968803
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1-ethylpyrrole-2-carboxamide
CID 43638963
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636774
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(2,3-dimethylphenyl)butanamide
CID 68636771
1-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-cyclobutylurea
CID 116658560

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide (CID 43599690) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide is N#Cc1c(NC(=O)CCn2cncn2)sc2c1CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ZSTUTNVMBAUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c14-5-10-9-1-3-15-6-11(9)21-13(10)18-12(20)2-4-19-8-16-7-17-19/h7-8,15H,1-4,6H2,(H,18,20).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 302.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43599690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).