1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one

C13H19N3OS — CID 139383840

IUPAC1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2=NC(C)(C)CS2)c1=O
InChIInChI=1S/C13H19N3OS/c1-9(2)14-10-6-5-7-16(11(10)17)12-15-13(3,4)8-18-12/h5-7,9,14H,8H2,1-4H3
InChIKeyXZQRRSCZWNXJGA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.40
Rot. Bonds2

About 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one

1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 139383840) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
PubChem CID139383840
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
SMILESCC(C)Nc1cccn(C2=NC(C)(C)CS2)c1=O
InChIInChI=1S/C13H19N3OS/c1-9(2)14-10-6-5-7-16(11(10)17)12-15-13(3,4)8-18-12/h5-7,9,14H,8H2,1-4H3
InChIKeyXZQRRSCZWNXJGA-UHFFFAOYSA-N
XLogP2.40
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 9533465
CID 9533465
CID 122493395
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CID 137450811
CID 137450811
CID 137450812
CID 137450812
CID 139390357
CID 139390357
CID 155017832
CID 155017832
CID 8767071
CID 8767071
CID 8767072
CID 8767072
CID 8795366
CID 8795366
CID 8795367
CID 8795367
CID 8906529
CID 8906529
CID 8906530
CID 8906530

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one (CID 139383840) is 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is CC(C)Nc1cccn(C2=NC(C)(C)CS2)c1=O.
What is the InChIKey of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is XZQRRSCZWNXJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9(2)14-10-6-5-7-16(11(10)17)12-15-13(3,4)8-18-12/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one?
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 265.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 139383840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).