(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C11H11N5O3S2 — CID 61144444

IUPAC(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H11N5O3S2/c17-9(15-6-20-5-7(15)11(18)19)4-16-13-10(12-14-16)8-2-1-3-21-8/h1-3,7H,4-6H2,(H,18,19)/t7-/m0/s1
InChIKeyUKTGIYFRAIFKMN-ZETCQYMHSA-N
MW325.38 g/mol
LogP0.39
Rot. Bonds4

About (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144444) has the molecular formula C11H11N5O3S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144444
Molecular FormulaC11H11N5O3S2
Molecular Weight325.38 g/mol
Exact Mass325.03
IUPAC Name(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C11H11N5O3S2/c17-9(15-6-20-5-7(15)11(18)19)4-16-13-10(12-14-16)8-2-1-3-21-8/h1-3,7H,4-6H2,(H,18,19)/t7-/m0/s1
InChIKeyUKTGIYFRAIFKMN-ZETCQYMHSA-N
XLogP0.39
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 17475815
2-[cyclopropyl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 60827025
1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 51074753
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 115966127
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 862090
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963
(4R)-3-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61145121
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
3-[3-(thiophene-2-carbonylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172253

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144444) is (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UKTGIYFRAIFKMN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11N5O3S2/c17-9(15-6-20-5-7(15)11(18)19)4-16-13-10(12-14-16)8-2-1-3-21-8/h1-3,7H,4-6H2,(H,18,19)/t7-/m0/s1.
What are the key properties of (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 325.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).