5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid

C14H16N2O4S3 — CID 120549765

IUPAC5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCSCC2)s1
InChIInChI=1S/C14H16N2O4S3/c17-12(15-3-5-21-6-4-15)9-7-22-8-16(9)13(18)10-1-2-11(23-10)14(19)20/h1-2,9H,3-8H2,(H,19,20)
InChIKeyNPPPPUXKHHOCHF-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.54
Rot. Bonds3

About 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid

5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid (PubChem CID 120549765) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid
PubChem CID120549765
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC Name5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCSCC2)s1
InChIInChI=1S/C14H16N2O4S3/c17-12(15-3-5-21-6-4-15)9-7-22-8-16(9)13(18)10-1-2-11(23-10)14(19)20/h1-2,9H,3-8H2,(H,19,20)
InChIKeyNPPPPUXKHHOCHF-UHFFFAOYSA-N
XLogP1.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216993
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49217018
[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216972
cyclopentyl-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 71935072
6-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]pyridine-2-carboxylic acid
CID 119183482
1-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251290
5-(3-ethylsulfonylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 66377198
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
CID 155947417
6-(3-benzoyl-1,3-thiazolidine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174920

Frequently Asked Questions

What is the IUPAC name of 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid (CID 120549765) is 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CSCC2C(=O)N2CCSCC2)s1.
What is the InChIKey of 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid?
The InChIKey is NPPPPUXKHHOCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c17-12(15-3-5-21-6-4-15)9-7-22-8-16(9)13(18)10-1-2-11(23-10)14(19)20/h1-2,9H,3-8H2,(H,19,20).
What are the key properties of 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid?
5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid has a molecular weight of 372.49 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 120549765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).