3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide

C9H8ClN3OS — CID 80641974

IUPAC3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1sccc1Cl
InChIInChI=1S/C9H8ClN3OS/c10-7-1-2-15-8(7)9(14)12-4-6-3-11-5-13-6/h1-3,5H,4H2,(H,11,13)(H,12,14)
InChIKeyOJFDQIXWRGMGTF-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.05
Rot. Bonds3

About 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide

3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 80641974) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID80641974
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1sccc1Cl
InChIInChI=1S/C9H8ClN3OS/c10-7-1-2-15-8(7)9(14)12-4-6-3-11-5-13-6/h1-3,5H,4H2,(H,11,13)(H,12,14)
InChIKeyOJFDQIXWRGMGTF-UHFFFAOYSA-N
XLogP2.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(1H-imidazol-5-ylmethyl)pyrazine-2-carboxamide
CID 106551379
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 103403443
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648
4-(3-aminoprop-1-ynyl)-3-chloro-N-(1H-imidazol-5-ylmethyl)benzamide
CID 81307707
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
CID 80645088
N-(1H-imidazol-5-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77075428
5-[(3-chlorothiophene-2-carbonyl)amino]pentanoic acid
CID 80645328
N-(1H-imidazol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 103725235
5-chloro-2-(ethylamino)-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 114923933
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide (CID 80641974) is 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cnc[nH]1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is OJFDQIXWRGMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-7-1-2-15-8(7)9(14)12-4-6-3-11-5-13-6/h1-3,5H,4H2,(H,11,13)(H,12,14).
What are the key properties of 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide?
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 241.70 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 80641974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).