(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate

C19H18NO5S- — CID 7330974

IUPAC(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
SMILESCOc1cc(OC)cc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H19NO5S/c1-24-14-8-13(9-15(10-14)25-2)17(21)20-16(19(22)23)11-26-18(20)12-6-4-3-5-7-12/h3-10,16,18H,11H2,1-2H3,(H,22,23)/p-1/t16-,18+/m1/s1
InChIKeyHWLXSFFTTGQZAH-AEFFLSMTSA-M
MW372.42 g/mol
LogP1.71
Rot. Bonds5

About (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate

(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate (PubChem CID 7330974) has the molecular formula C19H18NO5S- and a molecular weight of 372.42 g/mol. Its IUPAC name is (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
PubChem CID7330974
Molecular FormulaC19H18NO5S-
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
SMILESCOc1cc(OC)cc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2)c1
InChIInChI=1S/C19H19NO5S/c1-24-14-8-13(9-15(10-14)25-2)17(21)20-16(19(22)23)11-26-18(20)12-6-4-3-5-7-12/h3-10,16,18H,11H2,1-2H3,(H,22,23)/p-1/t16-,18+/m1/s1
InChIKeyHWLXSFFTTGQZAH-AEFFLSMTSA-M
XLogP1.71
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
CID 6974036
(2R)-2-(3-methoxyphenyl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 90789628
2-tert-butyl-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729014
N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
2-methylpropyl 2-(2-chlorophenyl)-3-(3,5-dimethoxybenzoyl)-1,3-thiazolidine-4-carboxylate
CID 5198932
3-(3,4-dimethoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744233
(2R,4R)-2-(2-chlorophenyl)-3-(3-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051119
3-(4-butoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728488
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate (CID 7330974) is (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate is COc1cc(OC)cc(C(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccccc2)c1.
What is the InChIKey of (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is HWLXSFFTTGQZAH-AEFFLSMTSA-M. The full InChI is InChI=1S/C19H19NO5S/c1-24-14-8-13(9-15(10-14)25-2)17(21)20-16(19(22)23)11-26-18(20)12-6-4-3-5-7-12/h3-10,16,18H,11H2,1-2H3,(H,22,23)/p-1/t16-,18+/m1/s1.
What are the key properties of (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate?
(2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(3,5-dimethoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).