(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C9H12N4O3S — CID 28791217

IUPAC(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CCn1ccnn1
InChIInChI=1S/C9H12N4O3S/c14-8(1-3-12-4-2-10-11-12)13-6-17-5-7(13)9(15)16/h2,4,7H,1,3,5-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFQEBCDJKNASZGC-ZETCQYMHSA-N
MW256.29 g/mol
LogP-0.35
Rot. Bonds4

About (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28791217) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID28791217
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CCn1ccnn1
InChIInChI=1S/C9H12N4O3S/c14-8(1-3-12-4-2-10-11-12)13-6-17-5-7(13)9(15)16/h2,4,7H,1,3,5-6H2,(H,15,16)/t7-/m0/s1
InChIKeyFQEBCDJKNASZGC-ZETCQYMHSA-N
XLogP-0.35
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 28791217) is (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)CCn1ccnn1.
What is the InChIKey of (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FQEBCDJKNASZGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4O3S/c14-8(1-3-12-4-2-10-11-12)13-6-17-5-7(13)9(15)16/h2,4,7H,1,3,5-6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 256.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).