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

C11H13N3OS — CID 143181382

IUPAC5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)Nc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C11H13N3OS/c1-7(2)14-8-3-9(11(15)13-4-8)10-5-12-6-16-10/h3-7,14H,1-2H3,(H,13,15)
InChIKeyYDVISSBIEBWGAG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.32
Rot. Bonds3

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

5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 143181382) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID143181382
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)Nc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C11H13N3OS/c1-7(2)14-8-3-9(11(15)13-4-8)10-5-12-6-16-10/h3-7,14H,1-2H3,(H,13,15)
InChIKeyYDVISSBIEBWGAG-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 143181382) is 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is CC(C)Nc1c[nH]c(=O)c(-c2cncs2)c1.
What is the InChIKey of 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is YDVISSBIEBWGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7(2)14-8-3-9(11(15)13-4-8)10-5-12-6-16-10/h3-7,14H,1-2H3,(H,13,15).
What are the key properties of 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 143181382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).