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

C18H13F4N3OS — CID 30142300

IUPAC2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3OS/c1-10-15(27-17(23-10)25-13-7-5-12(19)6-8-13)16(26)24-14-4-2-3-11(9-14)18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyDJOXJINFWBAHSR-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.61
Rot. Bonds4

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

2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 30142300) has the molecular formula C18H13F4N3OS and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID30142300
Molecular FormulaC18H13F4N3OS
Molecular Weight395.38 g/mol
Exact Mass395.07
IUPAC Name2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H13F4N3OS/c1-10-15(27-17(23-10)25-13-7-5-12(19)6-8-13)16(26)24-14-4-2-3-11(9-14)18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyDJOXJINFWBAHSR-UHFFFAOYSA-N
XLogP5.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152926
N-(3,5-dimethylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152885
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 30142300) is 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DJOXJINFWBAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3OS/c1-10-15(27-17(23-10)25-13-7-5-12(19)6-8-13)16(26)24-14-4-2-3-11(9-14)18(20,21)22/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).