N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C12H11N3O2S — CID 46564996

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11N3O2S/c16-10-5-4-7(6-13-10)11(17)15-12-14-8-2-1-3-9(8)18-12/h4-6H,1-3H2,(H,13,16)(H,14,15,17)
InChIKeyNLZOSEOOICLCBP-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.57
Rot. Bonds2

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46564996) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46564996
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H11N3O2S/c16-10-5-4-7(6-13-10)11(17)15-12-14-8-2-1-3-9(8)18-12/h4-6H,1-3H2,(H,13,16)(H,14,15,17)
InChIKeyNLZOSEOOICLCBP-UHFFFAOYSA-N
XLogP1.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide 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 N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 46564996) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NLZOSEOOICLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-10-5-4-7(6-13-10)11(17)15-12-14-8-2-1-3-9(8)18-12/h4-6H,1-3H2,(H,13,16)(H,14,15,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46564996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).