3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one

C13H17N3OS — CID 82526108

IUPAC3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1-c1csc(N)n1
InChIInChI=1S/C13H17N3OS/c1-7(2)16-9(4)5-8(3)11(12(16)17)10-6-18-13(14)15-10/h5-7H,1-4H3,(H2,14,15)
InChIKeyCQWXJJCMXJGJOS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.75
Rot. Bonds2

About 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one

3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 82526108) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID82526108
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(C)n(C(C)C)c(=O)c1-c1csc(N)n1
InChIInChI=1S/C13H17N3OS/c1-7(2)16-9(4)5-8(3)11(12(16)17)10-6-18-13(14)15-10/h5-7H,1-4H3,(H2,14,15)
InChIKeyCQWXJJCMXJGJOS-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-1,3,4-thiadiazol-2-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526113
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
CID 161234714
4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 58442374
3-(5-amino-1,3,4-thiadiazol-2-yl)-1-butan-2-yl-4,6-dimethylpyridin-2-one
CID 82525908
N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
CID 58442517
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
CID 25469654
4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 159452230
4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-amine
CID 58442454
3-(2-amino-1,3-thiazol-4-yl)-1-methyl-6-propan-2-ylpyridin-2-one
CID 82524566
4-(2,6-dimethoxy-4-methylphenyl)-1,3-thiazol-2-amine
CID 15224835
1-cyclopentyl-4,6-dimethyl-3-[2-(methylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525740

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one (CID 82526108) is 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one is Cc1cc(C)n(C(C)C)c(=O)c1-c1csc(N)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is CQWXJJCMXJGJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7(2)16-9(4)5-8(3)11(12(16)17)10-6-18-13(14)15-10/h5-7H,1-4H3,(H2,14,15).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one?
3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82526108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).