2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C13H11F3N2OS — CID 110860901

IUPAC2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)s1
InChIInChI=1S/C13H11F3N2OS/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyUPTQXRFMQJQZOP-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.03
Rot. Bonds2

About 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 110860901) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID110860901
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)s1
InChIInChI=1S/C13H11F3N2OS/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19)
InChIKeyUPTQXRFMQJQZOP-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110862459
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 110860959
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
N-(6-methoxy-3-pyridinyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 71703668
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-[4-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenoxy]butanoic acid
CID 120530746
2,5-dimethyl-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110465519
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
N-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 110860901) is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UPTQXRFMQJQZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-7-11(17-8(2)20-7)12(19)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110860901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).