5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one

C8H7N3OS — CID 58709980

IUPAC5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESNc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C8H7N3OS/c9-5-1-6(8(12)11-2-5)7-3-10-4-13-7/h1-4H,9H2,(H,11,12)
InChIKeyACHNMJASWGMCCS-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.08
Rot. Bonds1

About 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one

5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 58709980) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID58709980
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESNc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C8H7N3OS/c9-5-1-6(8(12)11-2-5)7-3-10-4-13-7/h1-4H,9H2,(H,11,12)
InChIKeyACHNMJASWGMCCS-UHFFFAOYSA-N
XLogP1.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 58709980) is 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is Nc1c[nH]c(=O)c(-c2cncs2)c1.
What is the InChIKey of 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is ACHNMJASWGMCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-5-1-6(8(12)11-2-5)7-3-10-4-13-7/h1-4H,9H2,(H,11,12).
What are the key properties of 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 193.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58709980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).