4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

C16H12ClF3N4OS — CID 66778907

IUPAC4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C16H12ClF3N4OS/c1-2-24-10(7-11(23-24)16(18,19)20)13-12(22-15(26-13)14(21)25)8-5-3-4-6-9(8)17/h3-7H,2H2,1H3,(H2,21,25)
InChIKeyITODEYVYOYPVHT-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.46
Rot. Bonds4

About 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide

4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66778907) has the molecular formula C16H12ClF3N4OS and a molecular weight of 400.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
PubChem CID66778907
Molecular FormulaC16H12ClF3N4OS
Molecular Weight400.81 g/mol
Exact Mass400.04
IUPAC Name4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C16H12ClF3N4OS/c1-2-24-10(7-11(23-24)16(18,19)20)13-12(22-15(26-13)14(21)25)8-5-3-4-6-9(8)17/h3-7H,2H2,1H3,(H2,21,25)
InChIKeyITODEYVYOYPVHT-UHFFFAOYSA-N
XLogP4.46
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (CID 66778907) is 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is CCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is ITODEYVYOYPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4OS/c1-2-24-10(7-11(23-24)16(18,19)20)13-12(22-15(26-13)14(21)25)8-5-3-4-6-9(8)17/h3-7H,2H2,1H3,(H2,21,25).
What are the key properties of 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 400.81 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).