methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate

C11H10ClN3O2S — CID 142587312

IUPACmethyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1NCc1nccs1
InChIInChI=1S/C11H10ClN3O2S/c1-17-11(16)7-5-15-9(12)4-8(7)14-6-10-13-2-3-18-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyJFAYYFKDMBXHHT-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.59
Rot. Bonds4

About methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate

methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate (PubChem CID 142587312) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
PubChem CID142587312
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Namemethyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1NCc1nccs1
InChIInChI=1S/C11H10ClN3O2S/c1-17-11(16)7-5-15-9(12)4-8(7)14-6-10-13-2-3-18-10/h2-5H,6H2,1H3,(H,14,15)
InChIKeyJFAYYFKDMBXHHT-UHFFFAOYSA-N
XLogP2.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-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

methyl 5-chloro-2-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63657617
methyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 71512051
methyl 6-[(7,7-dimethyl-5-oxofuro[3,4-b]pyridin-2-yl)amino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate
CID 142587243
methyl 2-fluoro-5-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63655799
2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrimidine-5-carboxamide
CID 154628232
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799
ethyl 2-amino-3-(1,3-thiazol-2-ylmethylamino)benzoate
CID 113332759
methyl 6-chloro-4-(5-chloro-2-methylanilino)pyridine-3-carboxylate
CID 118431050

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate (CID 142587312) is methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate is COC(=O)c1cnc(Cl)cc1NCc1nccs1.
What is the InChIKey of methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate?
The InChIKey is JFAYYFKDMBXHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-17-11(16)7-5-15-9(12)4-8(7)14-6-10-13-2-3-18-10/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate?
methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 142587312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).