N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C11H7F3N2OS — CID 110482303

IUPACN-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)c1cscn1
InChIInChI=1S/C11H7F3N2OS/c12-6-1-8(13)7(9(14)2-6)3-15-11(17)10-4-18-5-16-10/h1-2,4-5H,3H2,(H,15,17)
InChIKeyGRQHCBBCGMGBEU-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.49
Rot. Bonds3

About N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide

N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 110482303) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID110482303
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC NameN-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1c(F)cc(F)cc1F)c1cscn1
InChIInChI=1S/C11H7F3N2OS/c12-6-1-8(13)7(9(14)2-6)3-15-11(17)10-4-18-5-16-10/h1-2,4-5H,3H2,(H,15,17)
InChIKeyGRQHCBBCGMGBEU-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[(5-bromothiophen-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 130948300
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
CID 169100410
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
N-[(3-carbamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049431

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 110482303) is N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1cscn1.
What is the InChIKey of N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GRQHCBBCGMGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-6-1-8(13)7(9(14)2-6)3-15-11(17)10-4-18-5-16-10/h1-2,4-5H,3H2,(H,15,17).
What are the key properties of N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110482303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).