3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid

C11H14N4O3S2 — CID 43359423

IUPAC3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C11H14N4O3S2/c16-9(15-6-19-3-8(15)10(17)18)4-20-11-13-12-5-14(11)7-1-2-7/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyBVKJTVDDZFUJTC-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.69
Rot. Bonds5

About 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359423) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359423
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C11H14N4O3S2/c16-9(15-6-19-3-8(15)10(17)18)4-20-11-13-12-5-14(11)7-1-2-7/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyBVKJTVDDZFUJTC-UHFFFAOYSA-N
XLogP0.69
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-[3-(1,2,4-triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 28791237
(4R)-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 28791269
2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]acetic acid
CID 43132287
3-[2-(1-Cyclopropyltetrazol-5-yl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172201
3-[2-(1,2,4-Triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211283
3-[3-(1,2,4-Triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211285
3-[2-(1,2,4-Triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211292
2-[Methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetic acid
CID 43241062
2-[[2-[(4-Propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid
CID 43244982
2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetic acid
CID 43245005
2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid
CID 43245006
2-[[2-[(4-Cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353450

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359423) is 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CSc1nncn1C1CC1.
What is the InChIKey of 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BVKJTVDDZFUJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c16-9(15-6-19-3-8(15)10(17)18)4-20-11-13-12-5-14(11)7-1-2-7/h5,7-8H,1-4,6H2,(H,17,18).
What are the key properties of 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).