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

C18H13F3N2OS — CID 66864550

IUPAC2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C18H13F3N2OS/c1-9-17(25-10(2)22-9)18(24)23-16-6-4-3-5-11(16)12-7-14(20)15(21)8-13(12)19/h3-8H,1-2H3,(H,23,24)
InChIKeyOWALHKXFDYYVCM-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.10
Rot. Bonds3

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

2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 66864550) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID66864550
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC Name2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C18H13F3N2OS/c1-9-17(25-10(2)22-9)18(24)23-16-6-4-3-5-11(16)12-7-14(20)15(21)8-13(12)19/h3-8H,1-2H3,(H,23,24)
InChIKeyOWALHKXFDYYVCM-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45029639
2,4-dimethyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 71805033
N-(2,4-dichlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242134
5-chloro-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 43092330
2,4-dimethyl-N-[2-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119437898
N-[2-(4-chloro-2-methylphenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 59734714
N-(4-chloro-2-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103766762
2,4-dimethyl-N-[4-(2-methylphenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 70340712
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(4-benzamido-2,5-dimethoxyphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16644290
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
N-[2-(4-fluorophenyl)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 21043952

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide (CID 66864550) is 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2-c2cc(F)c(F)cc2F)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OWALHKXFDYYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c1-9-17(25-10(2)22-9)18(24)23-16-6-4-3-5-11(16)12-7-14(20)15(21)8-13(12)19/h3-8H,1-2H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(2,4,5-trifluorophenyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66864550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).