N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide

C8H9F3N2OS — CID 166845261

IUPACN-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C(F)(F)F)sn1
InChIInChI=1S/C8H9F3N2OS/c1-4(2)12-7(14)5-3-6(15-13-5)8(9,10)11/h3-4H,1-2H3,(H,12,14)
InChIKeyPEEJCOACHGASJJ-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.30
Rot. Bonds2

About N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide

N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide (PubChem CID 166845261) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
PubChem CID166845261
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC NameN-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(C(F)(F)F)sn1
InChIInChI=1S/C8H9F3N2OS/c1-4(2)12-7(14)5-3-6(15-13-5)8(9,10)11/h3-4H,1-2H3,(H,12,14)
InChIKeyPEEJCOACHGASJJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-thiazole-3-carboxamide
CID 127001223
2-fluoro-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 118603833
N-but-3-en-2-yl-5-methyl-1,2-thiazole-3-carboxamide
CID 131084341
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-propan-2-yl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109179578
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide (CID 166845261) is N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide is CC(C)NC(=O)c1cc(C(F)(F)F)sn1.
What is the InChIKey of N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide?
The InChIKey is PEEJCOACHGASJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4(2)12-7(14)5-3-6(15-13-5)8(9,10)11/h3-4H,1-2H3,(H,12,14).
What are the key properties of N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide?
N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 166845261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).