2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C10H4F3N5O2S3 — CID 18707563

IUPAC2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Sc2nnnn2-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C10H4F3N5O2S3/c11-10(12,13)6-5(7(19)20)22-9(14-6)23-8-15-16-17-18(8)4-2-1-3-21-4/h1-3H,(H,19,20)
InChIKeyBYZIMJJZNJVVLW-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.05
Rot. Bonds4

About 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18707563) has the molecular formula C10H4F3N5O2S3 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18707563
Molecular FormulaC10H4F3N5O2S3
Molecular Weight379.37 g/mol
Exact Mass378.95
IUPAC Name2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Sc2nnnn2-c2cccs2)nc1C(F)(F)F
InChIInChI=1S/C10H4F3N5O2S3/c11-10(12,13)6-5(7(19)20)22-9(14-6)23-8-15-16-17-18(8)4-2-1-3-21-4/h1-3H,(H,19,20)
InChIKeyBYZIMJJZNJVVLW-UHFFFAOYSA-N
XLogP3.05
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(1-thiophen-2-yltetrazol-5-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-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 18707563) is 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Sc2nnnn2-c2cccs2)nc1C(F)(F)F.
What is the InChIKey of 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BYZIMJJZNJVVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3N5O2S3/c11-10(12,13)6-5(7(19)20)22-9(14-6)23-8-15-16-17-18(8)4-2-1-3-21-4/h1-3H,(H,19,20).
What are the key properties of 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 379.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-yltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18707563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).