4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide

C14H16N2O2S — CID 655321

IUPAC4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1nccs1
InChIInChI=1S/C14H16N2O2S/c1-11-5-2-3-6-12(11)18-9-4-7-13(17)16-14-15-8-10-19-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,15,16,17)
InChIKeyXTXYYQYHFCKNDZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.25
Rot. Bonds6

About 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide

4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 655321) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID655321
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
SMILESCc1ccccc1OCCCC(=O)Nc1nccs1
InChIInChI=1S/C14H16N2O2S/c1-11-5-2-3-6-12(11)18-9-4-7-13(17)16-14-15-8-10-19-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,15,16,17)
InChIKeyXTXYYQYHFCKNDZ-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(2,6-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001088
Thiourea, N-(2-(2,5-dimethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001089
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
Thiourea, N-(2-(3-(1-methylethoxy)phenyl)ethyl)-N'-2-thiazolyl-
CID 3001085
2-Amino-5-thio-substituted thiazole 69
CID 5329705

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide (CID 655321) is 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide is Cc1ccccc1OCCCC(=O)Nc1nccs1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is XTXYYQYHFCKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-5-2-3-6-12(11)18-9-4-7-13(17)16-14-15-8-10-19-14/h2-3,5-6,8,10H,4,7,9H2,1H3,(H,15,16,17).
What are the key properties of 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide?
4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 276.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 655321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).