3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

C13H14N2O2S — CID 2163381

IUPAC3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-3,5-6,8-9H,4,7H2,1H3,(H,14,15,16)
InChIKeyMPSJXLCOXZQDGX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.72
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2163381) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2163381
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-3,5-6,8-9H,4,7H2,1H3,(H,14,15,16)
InChIKeyMPSJXLCOXZQDGX-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
4-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 2163381) is 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is MPSJXLCOXZQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-11-5-2-10(3-6-11)4-7-12(16)15-13-14-8-9-18-13/h2-3,5-6,8-9H,4,7H2,1H3,(H,14,15,16).
What are the key properties of 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 262.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2163381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).