[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate

C13H12N2O3S — CID 4800401

IUPAC[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-8-10-2-4-11(5-3-10)12(17)15-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyOEFQCNOHCIQVGN-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.46
Rot. Bonds4

About [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate

[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate (PubChem CID 4800401) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate
PubChem CID4800401
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-8-10-2-4-11(5-3-10)12(17)15-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyOEFQCNOHCIQVGN-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176
Acetic acid phenyl-(thiazol-2-ylcarbamoyl)-methyl ester
CID 2930812
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
Ethyl 4-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CID 16068737
Ethyl 3-[(5-bromo-1,3-thiazol-2-yl)amino]benzoate
CID 16068741
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 3-methylbenzoate
CID 888798
3-methyl-1-oxo-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
CID 2960225
1-oxo-N-(thiazol-2-yl)isochroman-3-carboxamide
CID 5210197

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate?
The IUPAC name of [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate (CID 4800401) is [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate.
What is the SMILES notation for [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate?
The canonical SMILES for [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate is CC(=O)OCc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate?
The InChIKey is OEFQCNOHCIQVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-9(16)18-8-10-2-4-11(5-3-10)12(17)15-13-14-6-7-19-13/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate?
[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate has a molecular weight of 276.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl acetate is sourced from PubChem (CID 4800401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).