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

C14H16N2O2S — CID 4851403

IUPAC3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCOc1ccc(CCC(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C14H16N2O2S/c1-16-9-10-19-14(16)15-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3/b15-14+
InChIKeyFQSZLOGPSVBHAG-CCEZHUSRSA-N
MW276.36 g/mol
LogP2.16
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (PubChem CID 4851403) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
PubChem CID4851403
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
SMILESCOc1ccc(CCC(=O)/N=c2/sccn2C)cc1
InChIInChI=1S/C14H16N2O2S/c1-16-9-10-19-14(16)15-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3/b15-14+
InChIKeyFQSZLOGPSVBHAG-CCEZHUSRSA-N
XLogP2.16
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 51146790
N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide
CID 30710981
2-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 46539890
2-(4-chlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 14442056
3-(3-bromophenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 55332621
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
2-(3-methyl-4-propan-2-ylphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 8894155
N-(5-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 41133758
ethyl N-(3-methyl-1,3-thiazol-2-ylidene)carbamate
CID 131232981
2-(2,6-dichlorophenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 7944242
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 24617738
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 71899527

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide (CID 4851403) is 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is COc1ccc(CCC(=O)/N=c2/sccn2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
The InChIKey is FQSZLOGPSVBHAG-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16-9-10-19-14(16)15-13(17)8-5-11-3-6-12(18-2)7-4-11/h3-4,6-7,9-10H,5,8H2,1-2H3/b15-14+.
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide?
3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide has a molecular weight of 276.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide is sourced from PubChem (CID 4851403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).