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

C15H12FN3OS — CID 43430836

IUPACN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCNC2
InChIInChI=1S/C15H12FN3OS/c16-10-3-1-2-9(6-10)14(20)19-15-12(7-17)11-4-5-18-8-13(11)21-15/h1-3,6,18H,4-5,8H2,(H,19,20)
InChIKeyGGVMBCPKLODFDE-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.66
Rot. Bonds2

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

N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide (PubChem CID 43430836) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
PubChem CID43430836
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide
SMILESN#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCNC2
InChIInChI=1S/C15H12FN3OS/c16-10-3-1-2-9(6-10)14(20)19-15-12(7-17)11-4-5-18-8-13(11)21-15/h1-3,6,18H,4-5,8H2,(H,19,20)
InChIKeyGGVMBCPKLODFDE-UHFFFAOYSA-N
XLogP2.66
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-fluorobenzamide
CID 903396
(3S)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-(3-fluorophenyl)butanamide
CID 68636426
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-fluorobenzamide
CID 43430864
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-methylbenzamide
CID 43430839
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-fluorobenzamide;N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylbenzamide;methane
CID 159224001
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
5-bromo-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 43430842
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)-1-ethylpyrrole-2-carboxamide
CID 43638963
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)-2,5-dimethylfuran-3-carboxamide
CID 43430849
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide (CID 43430836) is N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide is N#Cc1c(NC(=O)c2cccc(F)c2)sc2c1CCNC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide?
The InChIKey is GGVMBCPKLODFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-10-3-1-2-9(6-10)14(20)19-15-12(7-17)11-4-5-18-8-13(11)21-15/h1-3,6,18H,4-5,8H2,(H,19,20).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide?
N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-3-fluorobenzamide has a molecular weight of 301.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-fluorobenzamide is sourced from PubChem (CID 43430836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).