2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide

C18H14BrN3O2S — CID 16914994

IUPAC2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)ccc1Br
InChIInChI=1S/C18H14BrN3O2S/c1-11-9-13(7-8-14(11)19)20-17(24)15-10-25-18(21-15)22-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,22,23)
InChIKeyLOSSCLTXHHARLH-UHFFFAOYSA-N
MW416.30 g/mol
LogP4.72
Rot. Bonds4

About 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914994) has the molecular formula C18H14BrN3O2S and a molecular weight of 416.30 g/mol. Its IUPAC name is 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16914994
Molecular FormulaC18H14BrN3O2S
Molecular Weight416.30 g/mol
Exact Mass415.00
IUPAC Name2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)ccc1Br
InChIInChI=1S/C18H14BrN3O2S/c1-11-9-13(7-8-14(11)19)20-17(24)15-10-25-18(21-15)22-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,22,23)
InChIKeyLOSSCLTXHHARLH-UHFFFAOYSA-N
XLogP4.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(4-chlorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 16915145
N-(4-bromo-3-methylphenyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90506028
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
N-(4-acetyl-1,3-thiazol-2-yl)-4-bromo-3-methylbenzamide
CID 112706110
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
N-(4-bromo-3-methylphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954943
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2-[(4-chlorobenzoyl)amino]-N-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 16915105

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 16914994) is 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)ccc1Br.
What is the InChIKey of 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LOSSCLTXHHARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2S/c1-11-9-13(7-8-14(11)19)20-17(24)15-10-25-18(21-15)22-16(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).