(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate

C19H17NO4S2 — CID 2118237

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
SMILESO=C(CCS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17NO4S2/c21-18(11-12-26(22,23)17-9-5-2-6-10-17)24-13-16-14-25-19(20-16)15-7-3-1-4-8-15/h1-10,14H,11-13H2
InChIKeySPUUIQANRAYMFR-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.72
Rot. Bonds7

About (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate

(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate (PubChem CID 2118237) has the molecular formula C19H17NO4S2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
PubChem CID2118237
Molecular FormulaC19H17NO4S2
Molecular Weight387.48 g/mol
Exact Mass387.06
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
SMILESO=C(CCS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C19H17NO4S2/c21-18(11-12-26(22,23)17-9-5-2-6-10-17)24-13-16-14-25-19(20-16)15-7-3-1-4-8-15/h1-10,14H,11-13H2
InChIKeySPUUIQANRAYMFR-UHFFFAOYSA-N
XLogP3.72
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate 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

Ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate
CID 2737174
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3a
CID 57340181
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
CID 2467851
[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl pivalate
CID 2814901
Ethyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 2763627
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110219
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2500386
Benzyl 2-phenylthiazole-4-carboxylate
CID 8278199
Ethyl 2-(2-fluorophenyl)thiazole-4-carboxylate
CID 2995947
Ethyl 2-phenylthiazole-4-carboxylate
CID 10036966
Ethyl 2-(4-ethylphenyl)thiazole-4-carboxylate
CID 53407520
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 2362633

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate (CID 2118237) is (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate is O=C(CCS(=O)(=O)c1ccccc1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate?
The InChIKey is SPUUIQANRAYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S2/c21-18(11-12-26(22,23)17-9-5-2-6-10-17)24-13-16-14-25-19(20-16)15-7-3-1-4-8-15/h1-10,14H,11-13H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate has a molecular weight of 387.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate is sourced from PubChem (CID 2118237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).