4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C13H14ClN3O2S — CID 155530940

IUPAC4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(Cl)ccn2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-9-8-16-13(20-9)17-11(18)3-2-6-19-12-7-10(14)4-5-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyAWNJLPVWPXVCMV-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.30
Rot. Bonds6

About 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155530940) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155530940
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(Cl)ccn2)s1
InChIInChI=1S/C13H14ClN3O2S/c1-9-8-16-13(20-9)17-11(18)3-2-6-19-12-7-10(14)4-5-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyAWNJLPVWPXVCMV-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide 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

4-[(5-chloro-3-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155518226
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
1-[2-[(5-Chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea
CID 71851267
1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71969918
2-butan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 84597082
N-(5-methylthiazol-2-yl)-4-[[4-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155521424
N-(5-methylthiazol-2-yl)-4-[[2-(trifluoromethyl)-4-pyridyl]oxy]butanamide
CID 155521580
4-[(2-chloro-4-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155523431
4-(4-aminophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155531584
N-(5-methylthiazol-2-yl)-4-[[6-(trifluoromethyl)-2-pyridyl]oxy]butanamide
CID 155544176
4-[(4-cyano-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155552810
4-(4-acetamidophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155567368

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155530940) is 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cc(Cl)ccn2)s1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is AWNJLPVWPXVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-8-16-13(20-9)17-11(18)3-2-6-19-12-7-10(14)4-5-15-12/h4-5,7-8H,2-3,6H2,1H3,(H,16,17,18).
What are the key properties of 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 311.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155530940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).