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

C18H11ClF4N2OS — CID 108801094

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H11ClF4N2OS/c1-9-15(27-17(24-9)10-2-5-12(20)6-3-10)16(26)25-14-8-11(18(21,22)23)4-7-13(14)19/h2-8H,1H3,(H,25,26)
InChIKeyBOIYFCPWQAZFEY-UHFFFAOYSA-N
MW414.81 g/mol
LogP6.18
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 108801094) has the molecular formula C18H11ClF4N2OS and a molecular weight of 414.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID108801094
Molecular FormulaC18H11ClF4N2OS
Molecular Weight414.81 g/mol
Exact Mass414.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H11ClF4N2OS/c1-9-15(27-17(24-9)10-2-5-12(20)6-3-10)16(26)25-14-8-11(18(21,22)23)4-7-13(14)19/h2-8H,1H3,(H,25,26)
InChIKeyBOIYFCPWQAZFEY-UHFFFAOYSA-N
XLogP6.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.81
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
3-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methylbenzoic acid
CID 108801089
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
N-(3-benzamido-2-methylphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55899419
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
N-(4-chloro-2-nitrophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801075
N-(4-chloro-2-pyridinyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788196
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
1-N'-[5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-methyl-1,3-thiazol-2-yl]-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 156828693
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-[4-methyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]cyclopropane-1,1-dicarboxamide
CID 156828667
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 108801094) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BOIYFCPWQAZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF4N2OS/c1-9-15(27-17(24-9)10-2-5-12(20)6-3-10)16(26)25-14-8-11(18(21,22)23)4-7-13(14)19/h2-8H,1H3,(H,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 414.81 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108801094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).