N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

C19H18FN3OS — CID 53152885

IUPACN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)c1
InChIInChI=1S/C19H18FN3OS/c1-11-7-12(2)9-16(8-11)22-18(24)17-13(3)21-19(25-17)23-15-6-4-5-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWHXACGGSINTONI-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.20
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide

N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53152885) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53152885
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)c1
InChIInChI=1S/C19H18FN3OS/c1-11-7-12(2)9-16(8-11)22-18(24)17-13(3)21-19(25-17)23-15-6-4-5-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWHXACGGSINTONI-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152926
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783
N-(3-chloro-4-methoxyphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152928
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
2-(2-ethylanilino)-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845466
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142312
2-(4-fluoroanilino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 30142360
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
4-methyl-2-(3-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 23791669
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide (CID 53152885) is N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2sc(Nc3cccc(F)c3)nc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WHXACGGSINTONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-11-7-12(2)9-16(8-11)22-18(24)17-13(3)21-19(25-17)23-15-6-4-5-14(20)10-15/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53152885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).