methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate

C21H23NO3S — CID 66619979

IUPACmethyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate
SMILESCCCc1ccc(-c2ccccc2C(=O)N2CCS[C@@H]2C(=O)OC)cc1
InChIInChI=1S/C21H23NO3S/c1-3-6-15-9-11-16(12-10-15)17-7-4-5-8-18(17)19(23)22-13-14-26-20(22)21(24)25-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3/t20-/m1/s1
InChIKeyWWLTVJQAHBNJHU-HXUWFJFHSA-N
MW369.49 g/mol
LogP3.99
Rot. Bonds5

About methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate

methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate (PubChem CID 66619979) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate
PubChem CID66619979
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC Namemethyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate
SMILESCCCc1ccc(-c2ccccc2C(=O)N2CCS[C@@H]2C(=O)OC)cc1
InChIInChI=1S/C21H23NO3S/c1-3-6-15-9-11-16(12-10-15)17-7-4-5-8-18(17)19(23)22-13-14-26-20(22)21(24)25-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3/t20-/m1/s1
InChIKeyWWLTVJQAHBNJHU-HXUWFJFHSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate?
The IUPAC name of methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate (CID 66619979) is methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate is CCCc1ccc(-c2ccccc2C(=O)N2CCS[C@@H]2C(=O)OC)cc1.
What is the InChIKey of methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate?
The InChIKey is WWLTVJQAHBNJHU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-3-6-15-9-11-16(12-10-15)17-7-4-5-8-18(17)19(23)22-13-14-26-20(22)21(24)25-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3/t20-/m1/s1.
What are the key properties of methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate?
methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate has a molecular weight of 369.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[2-(4-propylphenyl)benzoyl]-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 66619979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).