2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H10BrClN2OS — CID 113257504

IUPAC2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-3-2-8(14)4-10(9)13/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyTZSLKNGXAIXDJY-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.80
Rot. Bonds3

About 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 113257504) has the molecular formula C12H10BrClN2OS and a molecular weight of 345.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID113257504
Molecular FormulaC12H10BrClN2OS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC Name2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H10BrClN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-3-2-8(14)4-10(9)13/h2-4,6H,5H2,1H3,(H,15,17)
InChIKeyTZSLKNGXAIXDJY-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55171879
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
4-bromo-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283747
2,6-dichloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 113232226
4-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63283499
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618520
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283821
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
3-amino-2,6-difluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 79773036
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 113257504) is 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is TZSLKNGXAIXDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2OS/c1-7-11(18-6-16-7)5-15-12(17)9-3-2-8(14)4-10(9)13/h2-4,6H,5H2,1H3,(H,15,17).
What are the key properties of 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 345.65 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 113257504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).