5-bromo-1,3-thiazole-2-carboxamide

C4H3BrN2OS — CID 22497247

IUPAC5-bromo-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(Br)s1
InChIInChI=1S/C4H3BrN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChIKeyXUMYOPBPBIOHLH-UHFFFAOYSA-N
MW207.05 g/mol
LogP1.00
Rot. Bonds1

About 5-bromo-1,3-thiazole-2-carboxamide

5-bromo-1,3-thiazole-2-carboxamide (PubChem CID 22497247) has the molecular formula C4H3BrN2OS and a molecular weight of 207.05 g/mol. Its IUPAC name is 5-bromo-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-1,3-thiazole-2-carboxamide
PubChem CID22497247
Molecular FormulaC4H3BrN2OS
Molecular Weight207.05 g/mol
Exact Mass205.91
IUPAC Name5-bromo-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(Br)s1
InChIInChI=1S/C4H3BrN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChIKeyXUMYOPBPBIOHLH-UHFFFAOYSA-N
XLogP1.00
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.05
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-bromo-1,3-thiazole-2-carboxamide (CID 22497247) is 5-bromo-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-bromo-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-1,3-thiazole-2-carboxamide?
The InChIKey is XUMYOPBPBIOHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8).
What are the key properties of 5-bromo-1,3-thiazole-2-carboxamide?
5-bromo-1,3-thiazole-2-carboxamide has a molecular weight of 207.05 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22497247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).