4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H11BrN2OS — CID 115770341

IUPAC4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2cscn2)ccc1Br
InChIInChI=1S/C12H11BrN2OS/c1-8-4-9(2-3-11(8)13)12(16)14-5-10-6-17-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeyVZGHWQQPRDVWEN-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.14
Rot. Bonds3

About 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 115770341) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID115770341
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2cscn2)ccc1Br
InChIInChI=1S/C12H11BrN2OS/c1-8-4-9(2-3-11(8)13)12(16)14-5-10-6-17-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeyVZGHWQQPRDVWEN-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
N-(4-bromo-3-methylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 8926941
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 115770341) is 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is Cc1cc(C(=O)NCc2cscn2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is VZGHWQQPRDVWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-4-9(2-3-11(8)13)12(16)14-5-10-6-17-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16).
What are the key properties of 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 311.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 115770341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).