2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

C9H11F3N8S — CID 146128343

IUPAC2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCn1nnnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H11F3N8S/c1-18-7(14-16-17-18)19-2-4-20(5-3-19)8-15-13-6(21-8)9(10,11)12/h2-5H2,1H3
InChIKeyPNOOJQDBSYFFLO-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.41
Rot. Bonds2

About 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 146128343) has the molecular formula C9H11F3N8S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID146128343
Molecular FormulaC9H11F3N8S
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCn1nnnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H11F3N8S/c1-18-7(14-16-17-18)19-2-4-20(5-3-19)8-15-13-6(21-8)9(10,11)12/h2-5H2,1H3
InChIKeyPNOOJQDBSYFFLO-UHFFFAOYSA-N
XLogP0.41
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole 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-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 146128343) is 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is Cn1nnnc1N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is PNOOJQDBSYFFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N8S/c1-18-7(14-16-17-18)19-2-4-20(5-3-19)8-15-13-6(21-8)9(10,11)12/h2-5H2,1H3.
What are the key properties of 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 320.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 146128343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).