5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide

C10H10BrN3OS — CID 79965240

IUPAC5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ncc[nH]2)sc1Br
InChIInChI=1S/C10H10BrN3OS/c1-6-4-7(16-9(6)11)10(15)14-5-8-12-2-3-13-8/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeySZRKNHKSADIRGK-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide (PubChem CID 79965240) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
PubChem CID79965240
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ncc[nH]2)sc1Br
InChIInChI=1S/C10H10BrN3OS/c1-6-4-7(16-9(6)11)10(15)14-5-8-12-2-3-13-8/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeySZRKNHKSADIRGK-UHFFFAOYSA-N
XLogP2.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[5-(1H-imidazol-2-ylmethylcarbamoyl)-3-methylthiophen-2-yl]prop-2-enoic acid
CID 79997622
N-(1H-imidazol-2-ylmethyl)-5-methoxythiophene-2-carboxamide
CID 110245789
N-(1H-imidazol-2-ylmethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 64531438
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
CID 131107437
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
CID 115683147
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide (CID 79965240) is 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCc2ncc[nH]2)sc1Br.
What is the InChIKey of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide?
The InChIKey is SZRKNHKSADIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-6-4-7(16-9(6)11)10(15)14-5-8-12-2-3-13-8/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide has a molecular weight of 300.18 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79965240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).