4-bromo-N-(1,3-thiazol-2-yl)benzamide

C10H7BrN2OS — CID 603114

IUPAC4-bromo-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-6H,(H,12,13,14)
InChIKeyGFJFVDPWQAHAFA-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.16
Rot. Bonds2

About 4-bromo-N-(1,3-thiazol-2-yl)benzamide

4-bromo-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 603114) has the molecular formula C10H7BrN2OS and a molecular weight of 283.15 g/mol. Its IUPAC name is 4-bromo-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-thiazol-2-yl)benzamide
PubChem CID603114
Molecular FormulaC10H7BrN2OS
Molecular Weight283.15 g/mol
Exact Mass281.95
IUPAC Name4-bromo-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-6H,(H,12,13,14)
InChIKeyGFJFVDPWQAHAFA-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,3-thiazol-2-yl)benzamide (CID 603114) is 4-bromo-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GFJFVDPWQAHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-6H,(H,12,13,14).
What are the key properties of 4-bromo-N-(1,3-thiazol-2-yl)benzamide?
4-bromo-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 283.15 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 603114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).