2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole

C12H14N2S — CID 2861263

IUPAC2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(C2CC2)NN=C(c2ccccc2)S1
InChIInChI=1S/C12H14N2S/c1-12(10-7-8-10)14-13-11(15-12)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3
InChIKeyNSYZZGAACDBMJT-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.81
Rot. Bonds2

About 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole

2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole (PubChem CID 2861263) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
PubChem CID2861263
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole
SMILESCC1(C2CC2)NN=C(c2ccccc2)S1
InChIInChI=1S/C12H14N2S/c1-12(10-7-8-10)14-13-11(15-12)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3
InChIKeyNSYZZGAACDBMJT-UHFFFAOYSA-N
XLogP2.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole (CID 2861263) is 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole is CC1(C2CC2)NN=C(c2ccccc2)S1.
What is the InChIKey of 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
The InChIKey is NSYZZGAACDBMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-12(10-7-8-10)14-13-11(15-12)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole?
2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole has a molecular weight of 218.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-5-phenyl-3H-1,3,4-thiadiazole is sourced from PubChem (CID 2861263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).