1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

C18H14ClF3N2OS — CID 159022323

IUPAC1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1.Fc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C12H8ClF.C6H6F2N2OS/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;1-2-10-3(5(7)8)4(12-2)6(9)11/h1-8H;5H,1H3,(H2,9,11)
InChIKeyJTVVFTIBIDVYRD-UHFFFAOYSA-N
MW398.84 g/mol
LogP5.63
Rot. Bonds3

About 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide

1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 159022323) has the molecular formula C18H14ClF3N2OS and a molecular weight of 398.84 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID159022323
Molecular FormulaC18H14ClF3N2OS
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)F)c(C(N)=O)s1.Fc1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C12H8ClF.C6H6F2N2OS/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;1-2-10-3(5(7)8)4(12-2)6(9)11/h1-8H;5H,1H3,(H2,9,11)
InChIKeyJTVVFTIBIDVYRD-UHFFFAOYSA-N
XLogP5.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68738197
2-(3-chloro-4-fluorophenyl)aniline;N-[2-(3-chloro-4-fluorophenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide;chloromethane;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carbonyl chloride
CID 158216504
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
3-(4-chloro-3-fluorophenyl)-2-methylbenzamide
CID 67230127
2-(4-chloro-3-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
CID 114033677
N-[2-(4-chloro-2-methylphenyl)phenyl]-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 59734714
N-(2-bromo-6-phenylphenyl)-4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 142763515
4-(4-chloro-3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 174768563
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800
2-(4-chloro-3-fluorophenyl)-5-[chloro(phenyl)methyl]-1,3,4-thiadiazole
CID 107995024
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-(3-fluoro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359800

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 159022323) is 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(F)F)c(C(N)=O)s1.Fc1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JTVVFTIBIDVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF.C6H6F2N2OS/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9;1-2-10-3(5(7)8)4(12-2)6(9)11/h1-8H;5H,1H3,(H2,9,11).
What are the key properties of 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.84 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-phenylbenzene;4-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159022323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).