(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid

C11H12N2O4S2 — CID 61144843

IUPAC(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CSC[C@H]1C(=O)O)c1cccs1
InChIInChI=1S/C11H12N2O4S2/c14-9(13-6-18-5-7(13)11(16)17)4-12-10(15)8-2-1-3-19-8/h1-3,7H,4-6H2,(H,12,15)(H,16,17)/t7-/m0/s1
InChIKeyDRYGZECTJLTPKO-ZETCQYMHSA-N
MW300.36 g/mol
LogP0.46
Rot. Bonds4

About (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144843) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144843
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CSC[C@H]1C(=O)O)c1cccs1
InChIInChI=1S/C11H12N2O4S2/c14-9(13-6-18-5-7(13)11(16)17)4-12-10(15)8-2-1-3-19-8/h1-3,7H,4-6H2,(H,12,15)(H,16,17)/t7-/m0/s1
InChIKeyDRYGZECTJLTPKO-ZETCQYMHSA-N
XLogP0.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253
1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 43356026
3-[2-[(4-methylbenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359216
(4R)-3-[2-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143308
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 23461482
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
N-cyclopropyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide
CID 136526356
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
N-[2-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 86798441
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95154648

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144843) is (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(NCC(=O)N1CSC[C@H]1C(=O)O)c1cccs1.
What is the InChIKey of (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DRYGZECTJLTPKO-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c14-9(13-6-18-5-7(13)11(16)17)4-12-10(15)8-2-1-3-19-8/h1-3,7H,4-6H2,(H,12,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).