ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

C19H18N4O5S2 — CID 70789548

IUPACethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccncc2NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H18N4O5S2/c1-3-28-18(25)16-11-29-19(21-16)22-17(24)14-8-9-20-10-15(14)23-30(26,27)13-6-4-12(2)5-7-13/h4-11,23H,3H2,1-2H3,(H,21,22,24)
InChIKeyBNYVGCIUGDXTIV-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.08
Rot. Bonds7

About ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 70789548) has the molecular formula C19H18N4O5S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID70789548
Molecular FormulaC19H18N4O5S2
Molecular Weight446.51 g/mol
Exact Mass446.07
IUPAC Nameethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccncc2NS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H18N4O5S2/c1-3-28-18(25)16-11-29-19(21-16)22-17(24)14-8-9-20-10-15(14)23-30(26,27)13-6-4-12(2)5-7-13/h4-11,23H,3H2,1-2H3,(H,21,22,24)
InChIKeyBNYVGCIUGDXTIV-UHFFFAOYSA-N
XLogP3.08
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 70789548) is ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccncc2NS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is BNYVGCIUGDXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S2/c1-3-28-18(25)16-11-29-19(21-16)22-17(24)14-8-9-20-10-15(14)23-30(26,27)13-6-4-12(2)5-7-13/h4-11,23H,3H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(4-methylphenyl)sulfonylamino]pyridine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 70789548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).