N-benzyl-4-bromo-1,3-thiazole-2-carboxamide

C11H9BrN2OS — CID 90935843

IUPACN-benzyl-4-bromo-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(Br)cs1
InChIInChI=1S/C11H9BrN2OS/c12-9-7-16-11(14-9)10(15)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)
InChIKeyZIWFLJJZUXSVGN-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.84
Rot. Bonds3

About N-benzyl-4-bromo-1,3-thiazole-2-carboxamide

N-benzyl-4-bromo-1,3-thiazole-2-carboxamide (PubChem CID 90935843) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-benzyl-4-bromo-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-1,3-thiazole-2-carboxamide
PubChem CID90935843
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-benzyl-4-bromo-1,3-thiazole-2-carboxamide
SMILESO=C(NCc1ccccc1)c1nc(Br)cs1
InChIInChI=1S/C11H9BrN2OS/c12-9-7-16-11(14-9)10(15)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15)
InChIKeyZIWFLJJZUXSVGN-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-benzyl-5-[(4-bromophenyl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 52535728
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 117084082
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-benzyl-2-(2,3-dihydropyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 137484229
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
N-benzylthiophene-2-carboxamide
CID 574227
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-1,3-thiazole-2-carboxamide?
The IUPAC name of N-benzyl-4-bromo-1,3-thiazole-2-carboxamide (CID 90935843) is N-benzyl-4-bromo-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-bromo-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-benzyl-4-bromo-1,3-thiazole-2-carboxamide is O=C(NCc1ccccc1)c1nc(Br)cs1.
What is the InChIKey of N-benzyl-4-bromo-1,3-thiazole-2-carboxamide?
The InChIKey is ZIWFLJJZUXSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-7-16-11(14-9)10(15)13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15).
What are the key properties of N-benzyl-4-bromo-1,3-thiazole-2-carboxamide?
N-benzyl-4-bromo-1,3-thiazole-2-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90935843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).