2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid

C8H12N4O3S — CID 80500578

IUPAC2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cn(CCO)nn2)N1
InChIInChI=1S/C8H12N4O3S/c13-2-1-12-3-5(10-11-12)7-9-6(4-16-7)8(14)15/h3,6-7,9,13H,1-2,4H2,(H,14,15)
InChIKeyRVBSCEKHNBTTSP-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.94
Rot. Bonds4

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

2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 80500578) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID80500578
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cn(CCO)nn2)N1
InChIInChI=1S/C8H12N4O3S/c13-2-1-12-3-5(10-11-12)7-9-6(4-16-7)8(14)15/h3,6-7,9,13H,1-2,4H2,(H,14,15)
InChIKeyRVBSCEKHNBTTSP-UHFFFAOYSA-N
XLogP-0.94
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid (CID 80500578) is 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cn(CCO)nn2)N1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RVBSCEKHNBTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c13-2-1-12-3-5(10-11-12)7-9-6(4-16-7)8(14)15/h3,6-7,9,13H,1-2,4H2,(H,14,15).
What are the key properties of 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid?
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 80500578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).