5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide

C7H4BrN3O2S — CID 164646229

IUPAC5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnoc1)c1ncsc1Br
InChIInChI=1S/C7H4BrN3O2S/c8-6-5(9-3-14-6)7(12)11-4-1-10-13-2-4/h1-3H,(H,11,12)
InChIKeyVVZHNRMOJDXNEU-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.15
Rot. Bonds2

About 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide

5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 164646229) has the molecular formula C7H4BrN3O2S and a molecular weight of 274.10 g/mol. Its IUPAC name is 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID164646229
Molecular FormulaC7H4BrN3O2S
Molecular Weight274.10 g/mol
Exact Mass272.92
IUPAC Name5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnoc1)c1ncsc1Br
InChIInChI=1S/C7H4BrN3O2S/c8-6-5(9-3-14-6)7(12)11-4-1-10-13-2-4/h1-3H,(H,11,12)
InChIKeyVVZHNRMOJDXNEU-UHFFFAOYSA-N
XLogP2.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-oxazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615601
6-bromo-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 103889880
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
N-(1,2-oxazol-4-yl)pyridine-4-carboxamide
CID 71797676
4-amino-1-ethyl-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 65358029
4-bromo-2-fluoro-N-(1,2-oxazol-4-yl)benzamide
CID 55210684
6-chloro-N-(1,2-oxazol-4-yl)pyridine-3-carboxamide
CID 62415435
5-bromo-1,3-thiazole-4-carboxylate
CID 40787019
methyl 5-bromo-1,3-thiazole-4-carboxylate
CID 40787018
N-(4-bromophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110859671
5-amino-N-(1,2-oxazol-4-yl)-1,2-oxazole-3-carboxamide
CID 130563046
6-(1,2-oxazol-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 62915437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide (CID 164646229) is 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnoc1)c1ncsc1Br.
What is the InChIKey of 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VVZHNRMOJDXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2S/c8-6-5(9-3-14-6)7(12)11-4-1-10-13-2-4/h1-3H,(H,11,12).
What are the key properties of 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 274.10 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).