methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate

C20H16ClN3O3S — CID 171096227

IUPACmethyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cc1Cl
InChIInChI=1S/C20H16ClN3O3S/c1-27-20(26)17-14(21)9-13(10-22-17)23-19(25)18-15(11-7-8-11)16(24-28-18)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,23,25)
InChIKeyFPQFIXZOTWVYJT-UHFFFAOYSA-N
MW413.89 g/mol
LogP4.77
Rot. Bonds5

About methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate

methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 171096227) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate
PubChem CID171096227
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Namemethyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cc1Cl
InChIInChI=1S/C20H16ClN3O3S/c1-27-20(26)17-14(21)9-13(10-22-17)23-19(25)18-15(11-7-8-11)16(24-28-18)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,23,25)
InChIKeyFPQFIXZOTWVYJT-UHFFFAOYSA-N
XLogP4.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-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

4-cyclopropyl-N-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-phenyl-1,2-thiazole-5-carboxamide
CID 171095871
N-[5-chloro-6-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-4-cyclopropyl-3-pyrazolo[1,5-a]pyridin-4-yl-1,2-thiazole-5-carboxamide
CID 171095970
4-cyclopropyl-3-imidazo[1,2-a]pyridin-7-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095854
N-[3-chloro-4-(3-hydroxyazetidine-1-carbonyl)phenyl]-4-cyclopropyl-3-imidazo[1,2-a]pyridin-5-yl-1,2-thiazole-5-carboxamide;ethane;sulfane
CID 171096222
methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate
CID 141390009
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
CID 123997957
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
methyl 3-chloro-5-[[2-isoquinolin-4-yl-3-(trifluoromethyl)-1,5-dihydropyrazole-4-carbonyl]amino]pyridine-2-carboxylate
CID 135169561
phenyl N-(5-chloro-6-cyclopropyl-3-pyridinyl)carbamate
CID 155202112
4-cyclopropyl-3-(2-methylbenzotriazol-4-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095920
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate (CID 171096227) is methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1ncc(NC(=O)c2snc(-c3ccccc3)c2C2CC2)cc1Cl.
What is the InChIKey of methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is FPQFIXZOTWVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-27-20(26)17-14(21)9-13(10-22-17)23-19(25)18-15(11-7-8-11)16(24-28-18)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,23,25).
What are the key properties of methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate?
methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 413.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-[(4-cyclopropyl-3-phenyl-1,2-thiazole-5-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 171096227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).