5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine

C10H16F3N3S — CID 102609063

IUPAC5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(C)(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-6(2)9(3,4)5-14-8-16-15-7(17-8)10(11,12)13/h6H,5H2,1-4H3,(H,14,16)
InChIKeyCKYHPSIDOORIPN-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.65
Rot. Bonds4

About 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine

5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine (PubChem CID 102609063) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine
PubChem CID102609063
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(C)(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3S/c1-6(2)9(3,4)5-14-8-16-15-7(17-8)10(11,12)13/h6H,5H2,1-4H3,(H,14,16)
InChIKeyCKYHPSIDOORIPN-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine 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 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine (CID 102609063) is 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine is CC(C)C(C)(C)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CKYHPSIDOORIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-6(2)9(3,4)5-14-8-16-15-7(17-8)10(11,12)13/h6H,5H2,1-4H3,(H,14,16).
What are the key properties of 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine?
5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102609063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).