3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one

C11H13N3OS — CID 137449096

IUPAC3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)Nc1cccn(-c2nccs2)c1=O
InChIInChI=1S/C11H13N3OS/c1-8(2)13-9-4-3-6-14(10(9)15)11-12-5-7-16-11/h3-8,13H,1-2H3
InChIKeyBALYOFZUNGUHIT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.11
Rot. Bonds3

About 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one

3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 137449096) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
PubChem CID137449096
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)Nc1cccn(-c2nccs2)c1=O
InChIInChI=1S/C11H13N3OS/c1-8(2)13-9-4-3-6-14(10(9)15)11-12-5-7-16-11/h3-8,13H,1-2H3
InChIKeyBALYOFZUNGUHIT-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one (CID 137449096) is 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one is CC(C)Nc1cccn(-c2nccs2)c1=O.
What is the InChIKey of 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is BALYOFZUNGUHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(2)13-9-4-3-6-14(10(9)15)11-12-5-7-16-11/h3-8,13H,1-2H3.
What are the key properties of 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one?
3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 137449096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).