3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C13H14N2O2S — CID 51108495

IUPAC3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-8-6-12(16)15-11-4-2-10(3-5-11)13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyNHBMGKQNELXEOR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.79
Rot. Bonds5

About 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 51108495) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID51108495
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCOCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C13H14N2O2S/c1-17-8-6-12(16)15-11-4-2-10(3-5-11)13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,16)
InChIKeyNHBMGKQNELXEOR-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
2-amino-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62473394
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
2-[(2-methylpropan-2-yl)oxy]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 115950100
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903
2-(3,5-dimethylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795737
2-(prop-2-ynylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 79287112
ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 51108495) is 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is COCCC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is NHBMGKQNELXEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-8-6-12(16)15-11-4-2-10(3-5-11)13-14-7-9-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 262.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 51108495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).