1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one

C15H19N3O2S — CID 82525166

IUPAC1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
SMILESCOCCNc1nc(-c2ccc(C)n(C3CC3)c2=O)cs1
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-12(14(19)18(10)11-4-5-11)13-9-21-15(17-13)16-7-8-20-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyGWNLLNUVUGEZID-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one

1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one (PubChem CID 82525166) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
PubChem CID82525166
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
SMILESCOCCNc1nc(-c2ccc(C)n(C3CC3)c2=O)cs1
InChIInChI=1S/C15H19N3O2S/c1-10-3-6-12(14(19)18(10)11-4-5-11)13-9-21-15(17-13)16-7-8-20-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,17)
InChIKeyGWNLLNUVUGEZID-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-6-methyl-3-[2-(propylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525170
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 9420703
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526495
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
5-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 82427826

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one (CID 82525166) is 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one is COCCNc1nc(-c2ccc(C)n(C3CC3)c2=O)cs1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one?
The InChIKey is GWNLLNUVUGEZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-3-6-12(14(19)18(10)11-4-5-11)13-9-21-15(17-13)16-7-8-20-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one?
1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one is sourced from PubChem (CID 82525166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).