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

C11H8BrClN2OS — CID 103841851

IUPAC3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H8BrClN2OS/c12-9-3-7(1-2-10(9)13)11(16)14-4-8-5-17-6-15-8/h1-3,5-6H,4H2,(H,14,16)
InChIKeyYGLGCSRLJYSTPD-UHFFFAOYSA-N
MW331.62 g/mol
LogP3.49
Rot. Bonds3

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

3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 103841851) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID103841851
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC Name3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cscn1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H8BrClN2OS/c12-9-3-7(1-2-10(9)13)11(16)14-4-8-5-17-6-15-8/h1-3,5-6H,4H2,(H,14,16)
InChIKeyYGLGCSRLJYSTPD-UHFFFAOYSA-N
XLogP3.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 103841851) is 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide is O=C(NCc1cscn1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is YGLGCSRLJYSTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-9-3-7(1-2-10(9)13)11(16)14-4-8-5-17-6-15-8/h1-3,5-6H,4H2,(H,14,16).
What are the key properties of 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 331.62 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 103841851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).