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

C14H16N2O2S — CID 110388302

IUPACN-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-18-12-4-2-11(3-5-12)10-16-13(17)6-7-14-15-8-9-19-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyFZFBSNRPOJIHCJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.40
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 110388302) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
PubChem CID110388302
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2nccs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-18-12-4-2-11(3-5-12)10-16-13(17)6-7-14-15-8-9-19-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyFZFBSNRPOJIHCJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide 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

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
3-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 110678375
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide (CID 110388302) is N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide is COc1ccc(CNC(=O)CCc2nccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is FZFBSNRPOJIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-12-4-2-11(3-5-12)10-16-13(17)6-7-14-15-8-9-19-14/h2-5,8-9H,6-7,10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide?
N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 276.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110388302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).