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

C15H10ClF3N4OS — CID 66779029

IUPAC4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClF3N4OS/c1-23-9(6-10(22-23)15(17,18)19)12-11(21-14(25-12)13(20)24)7-4-2-3-5-8(7)16/h2-6H,1H3,(H2,20,24)
InChIKeyAOMNBGCOJQSRPN-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.98
Rot. Bonds3

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

4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (PubChem CID 66779029) has the molecular formula C15H10ClF3N4OS and a molecular weight of 386.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
PubChem CID66779029
Molecular FormulaC15H10ClF3N4OS
Molecular Weight386.79 g/mol
Exact Mass386.02
IUPAC Name4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClF3N4OS/c1-23-9(6-10(22-23)15(17,18)19)12-11(21-14(25-12)13(20)24)7-4-2-3-5-8(7)16/h2-6H,1H3,(H2,20,24)
InChIKeyAOMNBGCOJQSRPN-UHFFFAOYSA-N
XLogP3.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.98
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-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide (CID 66779029) is 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is Cn1nc(C(F)(F)F)cc1-c1sc(C(N)=O)nc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is AOMNBGCOJQSRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OS/c1-23-9(6-10(22-23)15(17,18)19)12-11(21-14(25-12)13(20)24)7-4-2-3-5-8(7)16/h2-6H,1H3,(H2,20,24).
What are the key properties of 4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide?
4-(2-chlorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 386.79 g/mol, XLogP of 3.98, 3 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-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66779029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).