2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide

C7H9FN2OS — CID 118603833

IUPAC2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(F)n1
InChIInChI=1S/C7H9FN2OS/c1-4(2)9-6(11)5-3-12-7(8)10-5/h3-4H,1-2H3,(H,9,11)
InChIKeyMXGXOXRAKKUMNL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds2

About 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 118603833) has the molecular formula C7H9FN2OS and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID118603833
Molecular FormulaC7H9FN2OS
Molecular Weight188.23 g/mol
Exact Mass188.04
IUPAC Name2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(F)n1
InChIInChI=1S/C7H9FN2OS/c1-4(2)9-6(11)5-3-12-7(8)10-5/h3-4H,1-2H3,(H,9,11)
InChIKeyMXGXOXRAKKUMNL-UHFFFAOYSA-N
XLogP1.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
6-fluoro-5-methyl-N-propan-2-ylpyridine-2-carboxamide
CID 176965081
2-[[propanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 810497
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
2-[[3-methylbutanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 3494429
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 118603833) is 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(F)n1.
What is the InChIKey of 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MXGXOXRAKKUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2OS/c1-4(2)9-6(11)5-3-12-7(8)10-5/h3-4H,1-2H3,(H,9,11).
What are the key properties of 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118603833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).