2-phenyl-5-propan-2-yl-1,3,4-thiadiazole

C11H12N2S — CID 605161

IUPAC2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyLMQKMRPLYREAPG-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.33
Rot. Bonds2

About 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole

2-phenyl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 605161) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID605161
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-phenyl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyLMQKMRPLYREAPG-UHFFFAOYSA-N
XLogP3.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole (CID 605161) is 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is LMQKMRPLYREAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8(2)10-12-13-11(14-10)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole?
2-phenyl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 204.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 605161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).