3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

C16H18N2O4S2 — CID 120549774

IUPAC3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CSCC2C(=O)N2CCSCC2)c1
InChIInChI=1S/C16H18N2O4S2/c19-14(11-2-1-3-12(8-11)16(21)22)18-10-24-9-13(18)15(20)17-4-6-23-7-5-17/h1-3,8,13H,4-7,9-10H2,(H,21,22)
InChIKeyLYWNKCCTKXQFBD-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.48
Rot. Bonds3

About 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid

3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (PubChem CID 120549774) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
PubChem CID120549774
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N2CSCC2C(=O)N2CCSCC2)c1
InChIInChI=1S/C16H18N2O4S2/c19-14(11-2-1-3-12(8-11)16(21)22)18-10-24-9-13(18)15(20)17-4-6-23-7-5-17/h1-3,8,13H,4-7,9-10H2,(H,21,22)
InChIKeyLYWNKCCTKXQFBD-UHFFFAOYSA-N
XLogP1.48
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid
CID 120549765
[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49217018
1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251290
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174920
6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-[3-(dimethylamino)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43329177
[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216972
N-[1-[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55941004

Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The IUPAC name of 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid (CID 120549774) is 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid.
What is the SMILES notation for 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The canonical SMILES for 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is O=C(O)c1cccc(C(=O)N2CSCC2C(=O)N2CCSCC2)c1.
What is the InChIKey of 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
The InChIKey is LYWNKCCTKXQFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-14(11-2-1-3-12(8-11)16(21)22)18-10-24-9-13(18)15(20)17-4-6-23-7-5-17/h1-3,8,13H,4-7,9-10H2,(H,21,22).
What are the key properties of 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid?
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid has a molecular weight of 366.46 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid is sourced from PubChem (CID 120549774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).