N-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C5H3F3N2OS — CID 154068900

IUPACN-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1cscn1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11)
InChIKeyFVRUFPJXDZBGBZ-UHFFFAOYSA-N
MW196.15 g/mol
LogP1.39
Rot. Bonds1

About N-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 154068900) has the molecular formula C5H3F3N2OS and a molecular weight of 196.15 g/mol. Its IUPAC name is N-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID154068900
Molecular FormulaC5H3F3N2OS
Molecular Weight196.15 g/mol
Exact Mass195.99
IUPAC NameN-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC(F)(F)F)c1cscn1
InChIInChI=1S/C5H3F3N2OS/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11)
InChIKeyFVRUFPJXDZBGBZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 115610740
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 114307887
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
CID 81343248
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
2,2,3,3,3-pentafluoro-1-(1,3-thiazol-4-yl)propan-1-one
CID 130688334
N-(3-sulfanylbuta-1,3-dien-2-yl)-1,3-thiazole-4-carboxamide
CID 89204534
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110471801
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 154068900) is N-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(NC(F)(F)F)c1cscn1.
What is the InChIKey of N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FVRUFPJXDZBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2OS/c6-5(7,8)10-4(11)3-1-12-2-9-3/h1-2H,(H,10,11).
What are the key properties of N-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 196.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 154068900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).