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

C12H14ClN3OS — CID 139390339

IUPAC5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cnc(-n2cc(Cl)cc(NC(C)C)c2=O)s1
InChIInChI=1S/C12H14ClN3OS/c1-7(2)15-10-4-9(13)6-16(11(10)17)12-14-5-8(3)18-12/h4-7,15H,1-3H3
InChIKeyVZMKXLGXFLZHGX-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.08
Rot. Bonds3

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

5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139390339) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139390339
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCc1cnc(-n2cc(Cl)cc(NC(C)C)c2=O)s1
InChIInChI=1S/C12H14ClN3OS/c1-7(2)15-10-4-9(13)6-16(11(10)17)12-14-5-8(3)18-12/h4-7,15H,1-3H3
InChIKeyVZMKXLGXFLZHGX-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.08
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
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24555165
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-(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
3-(Propan-2-ylamino)-1-(1,3-thiazol-2-yl)pyridin-2-one
CID 137449096
3-Amino-5-chloro-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137449781
3-Amino-1-(5-methyl-1,3-thiazol-2-yl)pyridin-2-one
CID 137450282
(2E,4E)-2-amino-4-chloro-5-[methyl-(5-methyl-1,3-thiazol-2-yl)amino]penta-2,4-dienal
CID 137450761
1-(5-Methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457266

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 139390339) is 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is Cc1cnc(-n2cc(Cl)cc(NC(C)C)c2=O)s1.
What is the InChIKey of 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is VZMKXLGXFLZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-7(2)15-10-4-9(13)6-16(11(10)17)12-14-5-8(3)18-12/h4-7,15H,1-3H3.
What are the key properties of 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 283.78 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(5-methyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139390339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).