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

C12H15N3OS — CID 137457266

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cnc(-n2cccc(NC(C)C)c2=O)s1
InChIInChI=1S/C12H15N3OS/c1-8(2)14-10-5-4-6-15(11(10)16)12-13-7-9(3)17-12/h4-8,14H,1-3H3
InChIKeyKQBMUBLISDXMPB-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.42
Rot. Bonds3

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

1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457266) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457266
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cnc(-n2cccc(NC(C)C)c2=O)s1
InChIInChI=1S/C12H15N3OS/c1-8(2)14-10-5-4-6-15(11(10)16)12-13-7-9(3)17-12/h4-8,14H,1-3H3
InChIKeyKQBMUBLISDXMPB-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-N-(5-methylthiazol-2-yl)pyrimidine-4-carboxamide
CID 136666419
4-Fluoro-3-(propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 137449463
3-(Ethylamino)-4-fluoro-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 137457482
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25948124
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31939975
1-[[2-(Propylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81311021
1-[[2-(Ethylamino)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319539
1-[4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]amino]butyl]pyridin-2-one
CID 133522950
2-[2-(dimethylamino)ethylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229632
2-[2-(diethylamino)ethylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3229638
1-(5-Methyl-thiazol-2-YL)-piperazin-2-one
CID 55253061
5-Bromo-1-methyl-3-(5-methylthiazol-2-ylamino)pyridin-2(1H)-one
CID 86683953

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 137457266) is 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is Cc1cnc(-n2cccc(NC(C)C)c2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is KQBMUBLISDXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)14-10-5-4-6-15(11(10)16)12-13-7-9(3)17-12/h4-8,14H,1-3H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).