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

C7H8BrFN2OS — CID 130921739

IUPAC5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC(CF)NC(=O)c1ncc(Br)s1
InChIInChI=1S/C7H8BrFN2OS/c1-4(2-9)11-6(12)7-10-3-5(8)13-7/h3-4H,2H2,1H3,(H,11,12)
InChIKeyCBNQLAYFOJOIOP-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.99
Rot. Bonds3

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

5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 130921739) has the molecular formula C7H8BrFN2OS and a molecular weight of 267.12 g/mol. Its IUPAC name is 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID130921739
Molecular FormulaC7H8BrFN2OS
Molecular Weight267.12 g/mol
Exact Mass265.95
IUPAC Name5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC(CF)NC(=O)c1ncc(Br)s1
InChIInChI=1S/C7H8BrFN2OS/c1-4(2-9)11-6(12)7-10-3-5(8)13-7/h3-4H,2H2,1H3,(H,11,12)
InChIKeyCBNQLAYFOJOIOP-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide (CID 130921739) is 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide is CC(CF)NC(=O)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is CBNQLAYFOJOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2OS/c1-4(2-9)11-6(12)7-10-3-5(8)13-7/h3-4H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide?
5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 267.12 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-fluoropropan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 130921739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).