N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide

C7H7F3N2OS — CID 130767344

IUPACN-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-4(7(8,9)10)12-6(13)5-2-14-3-11-5/h2-4H,1H3,(H,12,13)
InChIKeyNPSFNZARNCOBPM-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.82
Rot. Bonds2

About N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide

N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 130767344) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID130767344
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c1-4(7(8,9)10)12-6(13)5-2-14-3-11-5/h2-4H,1H3,(H,12,13)
InChIKeyNPSFNZARNCOBPM-UHFFFAOYSA-N
XLogP1.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-(1-cyclobutylethyl)-1,3-thiazole-4-carboxamide
CID 115769139
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62045490
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide (CID 130767344) is N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide is CC(NC(=O)c1cscn1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NPSFNZARNCOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4(7(8,9)10)12-6(13)5-2-14-3-11-5/h2-4H,1H3,(H,12,13).
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide?
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 224.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 130767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).