methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

C19H14F3N3O3S — CID 24765115

IUPACmethyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O3S/c1-10-9-23-7-6-13(10)16(26)25-18-24-14(17(27)28-2)15(29-18)11-4-3-5-12(8-11)19(20,21)22/h3-9H,1-2H3,(H,24,25,26)
InChIKeyWUWLOMOOKYPXIH-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.57
Rot. Bonds4

About methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate

methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (PubChem CID 24765115) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
PubChem CID24765115
Molecular FormulaC19H14F3N3O3S
Molecular Weight421.40 g/mol
Exact Mass421.07
IUPAC Namemethyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O3S/c1-10-9-23-7-6-13(10)16(26)25-18-24-14(17(27)28-2)15(29-18)11-4-3-5-12(8-11)19(20,21)22/h3-9H,1-2H3,(H,24,25,26)
InChIKeyWUWLOMOOKYPXIH-UHFFFAOYSA-N
XLogP4.57
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
CID 29805365
CID 29805365
Methyl 5-(2-methoxyphenyl)-2-[(4-pyridylcarbonyl)amino]-1,3-thiazole-4-carboxylate
CID 60175820
Methyl 5-(2-chlorophenyl)-2-(nicotinamido)thiazole-4-carboxylate
CID 60175910
Methyl 2-(2,6-difluorobenzamido)-5-(3-(methoxycarbonyl)phenyl)thiazole-4-carboxylate
CID 24764556
3-Methyl-n-[4-methyl-5-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-isonicotinamide
CID 24764835
Methyl 2-(2,6-difluorobenzamido)-5-(3-(trifluoromethyl)phenyl)thiazole-4-carboxylate
CID 24765114
Methyl 2-(2,6-difluorobenzamido)-5-(3-fluorophenyl)thiazole-4-carboxylate
CID 24765116
Methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 24765117
N-[4-cyclopropyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-3-methylpyridine-4-carboxamide
CID 24765319
2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 24765681

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate (CID 24765115) is methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is WUWLOMOOKYPXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c1-10-9-23-7-6-13(10)16(26)25-18-24-14(17(27)28-2)15(29-18)11-4-3-5-12(8-11)19(20,21)22/h3-9H,1-2H3,(H,24,25,26).
What are the key properties of methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate?
methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 421.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methylpyridine-4-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).