2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole

C10H12N2S — CID 827961

IUPAC2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(C)NN=C(c2ccccc2)S1
InChIInChI=1S/C10H12N2S/c1-10(2)12-11-9(13-10)8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKeyXEHACDOPECPCOK-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.42
Rot. Bonds1

About 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole

2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole (PubChem CID 827961) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole
PubChem CID827961
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(C)NN=C(c2ccccc2)S1
InChIInChI=1S/C10H12N2S/c1-10(2)12-11-9(13-10)8-6-4-3-5-7-8/h3-7,12H,1-2H3
InChIKeyXEHACDOPECPCOK-UHFFFAOYSA-N
XLogP2.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-5-phenyl-3H-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 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole?
The IUPAC name of 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole (CID 827961) is 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole?
The canonical SMILES for 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole is CC1(C)NN=C(c2ccccc2)S1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole?
The InChIKey is XEHACDOPECPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-10(2)12-11-9(13-10)8-6-4-3-5-7-8/h3-7,12H,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole?
2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole has a molecular weight of 192.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-3H-1,3,4-thiadiazole is sourced from PubChem (CID 827961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).