3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one

C12H15N3OS — CID 11242134

IUPAC3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N)c1Cc1nccs1
InChIInChI=1S/C12H15N3OS/c1-3-8-7(2)15-12(16)11(13)9(8)6-10-14-4-5-17-10/h4-5H,3,6,13H2,1-2H3,(H,15,16)
InChIKeyHNOWOEVLYUVJCR-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one

3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one (PubChem CID 11242134) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one
PubChem CID11242134
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N)c1Cc1nccs1
InChIInChI=1S/C12H15N3OS/c1-3-8-7(2)15-12(16)11(13)9(8)6-10-14-4-5-17-10/h4-5H,3,6,13H2,1-2H3,(H,15,16)
InChIKeyHNOWOEVLYUVJCR-UHFFFAOYSA-N
XLogP1.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4,5-diethyl-6-methyl-1H-pyridin-2-one
CID 130346765
2-ethyl-5-methyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80977439
6-(4-methylcyclohexyl)-2-sulfanylidene-5-(1,3-thiazol-2-ylmethyl)-1H-pyrimidin-4-one
CID 163910692
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
2-tert-butyl-5-methyl-4-(1,3-thiazol-2-ylmethyl)-1,2,4-triazol-3-one
CID 86788106
5-methyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 110738878
3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 23317701
2-methylsulfonyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61283283
4-ethoxy-6-(1,3-thiazol-2-ylmethyl)-1,3,5-triazin-2-amine
CID 79820066
4-chloro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-5-amine
CID 130603940
3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977589

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one (CID 11242134) is 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N)c1Cc1nccs1.
What is the InChIKey of 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one?
The InChIKey is HNOWOEVLYUVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-8-7(2)15-12(16)11(13)9(8)6-10-14-4-5-17-10/h4-5H,3,6,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one?
3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-6-methyl-4-(1,3-thiazol-2-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 11242134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).