(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO3S2 — CID 61389230

IUPAC(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H13NO3S2/c1-2-7-3-4-17-9(7)10(13)12-6-16-5-8(12)11(14)15/h3-4,8H,2,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyIKHFUOSYAUHNCZ-QMMMGPOBSA-N
MW271.36 g/mol
LogP1.91
Rot. Bonds3

About (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61389230) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61389230
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCc1ccsc1C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H13NO3S2/c1-2-7-3-4-17-9(7)10(13)12-6-16-5-8(12)11(14)15/h3-4,8H,2,5-6H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyIKHFUOSYAUHNCZ-QMMMGPOBSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(3-methoxythiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81127529
(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
1-(3-ethylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364426
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083600
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144010
3-(thieno[3,2-b]thiophene-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 80733741
3-(3-ethyl-1-methylpyrazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102810088
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61389230) is (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCc1ccsc1C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IKHFUOSYAUHNCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-2-7-3-4-17-9(7)10(13)12-6-16-5-8(12)11(14)15/h3-4,8H,2,5-6H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-ethylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61389230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).