1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C17H20N2O3S — CID 158295970

IUPAC1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OC2CCCOC2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C17H20N2O3S/c1-11-6-14(22-13-4-3-5-21-9-13)7-15(18-11)16(20)8-17-19-12(2)10-23-17/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyWZKYXMXPXFSNIQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.14
Rot. Bonds5

About 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158295970) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158295970
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OC2CCCOC2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C17H20N2O3S/c1-11-6-14(22-13-4-3-5-21-9-13)7-15(18-11)16(20)8-17-19-12(2)10-23-17/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyWZKYXMXPXFSNIQ-UHFFFAOYSA-N
XLogP3.14
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-3-yloxy)pyridine-2-carboxamide
CID 118612952
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-4-yloxy)pyridine-2-carboxamide
CID 118613091
4-cyclohexyloxy-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 118613050
2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 147236543
1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 147259889
2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 157173254
1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 157629024
2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 157887044
2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 157978353
2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 158048907
2-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R)-oxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 158349745
2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone
CID 157267954

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158295970) is 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1cc(OC2CCCOC2)cc(C(=O)Cc2nc(C)cs2)n1.
What is the InChIKey of 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WZKYXMXPXFSNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-6-14(22-13-4-3-5-21-9-13)7-15(18-11)16(20)8-17-19-12(2)10-23-17/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 332.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158295970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).