5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one

C16H15N3OS — CID 82419128

IUPAC5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one
SMILESCc1ccc(-n2cc(-c3csc(N)n3)c(=O)cc2C)cc1
InChIInChI=1S/C16H15N3OS/c1-10-3-5-12(6-4-10)19-8-13(15(20)7-11(19)2)14-9-21-16(17)18-14/h3-9H,1-2H3,(H2,17,18)
InChIKeyGOWMFKDLBBGDLA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.16
Rot. Bonds2

About 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one

5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one (PubChem CID 82419128) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one
PubChem CID82419128
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one
SMILESCc1ccc(-n2cc(-c3csc(N)n3)c(=O)cc2C)cc1
InChIInChI=1S/C16H15N3OS/c1-10-3-5-12(6-4-10)19-8-13(15(20)7-11(19)2)14-9-21-16(17)18-14/h3-9H,1-2H3,(H2,17,18)
InChIKeyGOWMFKDLBBGDLA-UHFFFAOYSA-N
XLogP3.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-1,3-thiazol-4-yl)-1-(2-fluorophenyl)-2-methylpyridin-4-one
CID 82421676
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
3-(2-amino-1,3-thiazol-4-yl)-6-methyl-1-propylpyridin-2-one
CID 82525318
4-(2-azido-5-methylphenyl)-1,3-thiazol-2-amine
CID 162493646
2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
CID 82419104
3-(2-amino-1,3-thiazol-4-yl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82525174
5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
CID 82445602
3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524566
(2-amino-1,3-thiazol-4-yl)-(4-methylphenyl)methanone
CID 10353333
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one?
The IUPAC name of 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one (CID 82419128) is 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one?
The canonical SMILES for 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one is Cc1ccc(-n2cc(-c3csc(N)n3)c(=O)cc2C)cc1.
What is the InChIKey of 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one?
The InChIKey is GOWMFKDLBBGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-3-5-12(6-4-10)19-8-13(15(20)7-11(19)2)14-9-21-16(17)18-14/h3-9H,1-2H3,(H2,17,18).
What are the key properties of 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one?
5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-4-yl)-2-methyl-1-(4-methylphenyl)pyridin-4-one is sourced from PubChem (CID 82419128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).