[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate

C15H11N3O3S2 — CID 21232748

IUPAC[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H11N3O3S2/c19-13(8-21-14(20)10-3-1-5-16-7-10)18-15-17-11(9-23-15)12-4-2-6-22-12/h1-7,9H,8H2,(H,17,18,19)
InChIKeyUFWRRFSMTRPTCK-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.06
Rot. Bonds5

About [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate

[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate (PubChem CID 21232748) has the molecular formula C15H11N3O3S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate
PubChem CID21232748
Molecular FormulaC15H11N3O3S2
Molecular Weight345.41 g/mol
Exact Mass345.02
IUPAC Name[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H11N3O3S2/c19-13(8-21-14(20)10-3-1-5-16-7-10)18-15-17-11(9-23-15)12-4-2-6-22-12/h1-7,9H,8H2,(H,17,18,19)
InChIKeyUFWRRFSMTRPTCK-UHFFFAOYSA-N
XLogP3.06
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate with MolForge

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Related Compounds

[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 23915714
[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] quinoxaline-5-carboxylate
CID 23744438
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7783695
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108742123
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23940632

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate (CID 21232748) is [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate?
The InChIKey is UFWRRFSMTRPTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S2/c19-13(8-21-14(20)10-3-1-5-16-7-10)18-15-17-11(9-23-15)12-4-2-6-22-12/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate?
[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate has a molecular weight of 345.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl] pyridine-3-carboxylate is sourced from PubChem (CID 21232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).