N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C18H18F3N5OS — CID 19589073

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C(F)(F)F)c(C(=O)NCc3cn(C)nc3C)s2)c1
InChIInChI=1S/C18H18F3N5OS/c1-10-5-4-6-13(7-10)23-17-24-15(18(19,20)21)14(28-17)16(27)22-8-12-9-26(3)25-11(12)2/h4-7,9H,8H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJCXWNCIGUUHORQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.19
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 19589073) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID19589073
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C(F)(F)F)c(C(=O)NCc3cn(C)nc3C)s2)c1
InChIInChI=1S/C18H18F3N5OS/c1-10-5-4-6-13(7-10)23-17-24-15(18(19,20)21)14(28-17)16(27)22-8-12-9-26(3)25-11(12)2/h4-7,9H,8H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJCXWNCIGUUHORQ-UHFFFAOYSA-N
XLogP4.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 19589073) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(C(F)(F)F)c(C(=O)NCc3cn(C)nc3C)s2)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JCXWNCIGUUHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-10-5-4-6-13(7-10)23-17-24-15(18(19,20)21)14(28-17)16(27)22-8-12-9-26(3)25-11(12)2/h4-7,9H,8H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylanilino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 19589073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).