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

C12H15N3OS — CID 58709774

IUPAC5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)(C)Nc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C12H15N3OS/c1-12(2,3)15-8-4-9(11(16)14-5-8)10-6-13-7-17-10/h4-7,15H,1-3H3,(H,14,16)
InChIKeyZHYHIJZQKPFBBT-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.71
Rot. Bonds2

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

5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (PubChem CID 58709774) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
PubChem CID58709774
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)(C)Nc1c[nH]c(=O)c(-c2cncs2)c1
InChIInChI=1S/C12H15N3OS/c1-12(2,3)15-8-4-9(11(16)14-5-8)10-6-13-7-17-10/h4-7,15H,1-3H3,(H,14,16)
InChIKeyZHYHIJZQKPFBBT-UHFFFAOYSA-N
XLogP2.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one (CID 58709774) is 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is CC(C)(C)Nc1c[nH]c(=O)c(-c2cncs2)c1.
What is the InChIKey of 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
The InChIKey is ZHYHIJZQKPFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-12(2,3)15-8-4-9(11(16)14-5-8)10-6-13-7-17-10/h4-7,15H,1-3H3,(H,14,16).
What are the key properties of 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one?
5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 58709774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).