2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C9H6F3N3O3S3 — CID 18708645

IUPAC2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Sc2nnc(CCO)s2)nc1C(F)(F)F
InChIInChI=1S/C9H6F3N3O3S3/c10-9(11,12)5-4(6(17)18)20-7(13-5)21-8-15-14-3(19-8)1-2-16/h16H,1-2H2,(H,17,18)
InChIKeySHKAQMUDGCYNJR-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.40
Rot. Bonds5

About 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18708645) has the molecular formula C9H6F3N3O3S3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18708645
Molecular FormulaC9H6F3N3O3S3
Molecular Weight357.36 g/mol
Exact Mass356.95
IUPAC Name2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Sc2nnc(CCO)s2)nc1C(F)(F)F
InChIInChI=1S/C9H6F3N3O3S3/c10-9(11,12)5-4(6(17)18)20-7(13-5)21-8-15-14-3(19-8)1-2-16/h16H,1-2H2,(H,17,18)
InChIKeySHKAQMUDGCYNJR-UHFFFAOYSA-N
XLogP2.40
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 18708645) is 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Sc2nnc(CCO)s2)nc1C(F)(F)F.
What is the InChIKey of 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SHKAQMUDGCYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3S3/c10-9(11,12)5-4(6(17)18)20-7(13-5)21-8-15-14-3(19-8)1-2-16/h16H,1-2H2,(H,17,18).
What are the key properties of 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 357.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18708645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).