1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one

C14H19N3OS — CID 82525387

IUPAC1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCCn1c(C)ccc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C14H19N3OS/c1-5-17-10(4)6-7-11(13(17)18)12-8-19-14(16-12)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyVSXFVEMJLBWKNG-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.12
Rot. Bonds4

About 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one

1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one (PubChem CID 82525387) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
PubChem CID82525387
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCCn1c(C)ccc(-c2csc(NC(C)C)n2)c1=O
InChIInChI=1S/C14H19N3OS/c1-5-17-10(4)6-7-11(13(17)18)12-8-19-14(16-12)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyVSXFVEMJLBWKNG-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
3-(2-amino-1,3-thiazol-4-yl)-6-methyl-1-propylpyridin-2-one
CID 82525318
2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442963
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878336
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 82452103
4-[2,5-dimethyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 8878341
1-cyclopropyl-6-methyl-3-[2-(propylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525170
4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82963289
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one (CID 82525387) is 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one is CCn1c(C)ccc(-c2csc(NC(C)C)n2)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one?
The InChIKey is VSXFVEMJLBWKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-5-17-10(4)6-7-11(13(17)18)12-8-19-14(16-12)15-9(2)3/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one?
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one has a molecular weight of 277.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one is sourced from PubChem (CID 82525387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).