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

C10H10F3N5O2S2 — CID 18708581

IUPAC2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCn1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1
InChIInChI=1S/C10H10F3N5O2S2/c1-2-3-4-18-16-8(15-17-18)22-9-14-6(10(11,12)13)5(21-9)7(19)20/h2-4H2,1H3,(H,19,20)
InChIKeyVICKNUPWVLCUGD-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.80
Rot. Bonds6

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

2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18708581) has the molecular formula C10H10F3N5O2S2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18708581
Molecular FormulaC10H10F3N5O2S2
Molecular Weight353.35 g/mol
Exact Mass353.02
IUPAC Name2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCCn1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1
InChIInChI=1S/C10H10F3N5O2S2/c1-2-3-4-18-16-8(15-17-18)22-9-14-6(10(11,12)13)5(21-9)7(19)20/h2-4H2,1H3,(H,19,20)
InChIKeyVICKNUPWVLCUGD-UHFFFAOYSA-N
XLogP2.80
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2-butyltetrazol-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-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 18708581) is 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CCCCn1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1.
What is the InChIKey of 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is VICKNUPWVLCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2S2/c1-2-3-4-18-16-8(15-17-18)22-9-14-6(10(11,12)13)5(21-9)7(19)20/h2-4H2,1H3,(H,19,20).
What are the key properties of 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18708581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).