2-phenyl-5-propyl-1,3,4-thiadiazole

C11H12N2S — CID 14433465

IUPAC2-phenyl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyNWVGDGOYYOKEFG-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.16
Rot. Bonds3

About 2-phenyl-5-propyl-1,3,4-thiadiazole

2-phenyl-5-propyl-1,3,4-thiadiazole (PubChem CID 14433465) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 2-phenyl-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-phenyl-5-propyl-1,3,4-thiadiazole
PubChem CID14433465
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name2-phenyl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyNWVGDGOYYOKEFG-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5-phenyl-1,3,4-thiadiazole
CID 219408
1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Amino-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 605582
5-(3-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590957
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CID 290120
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
5-(2-Methylphenyl)-1,3,4-thiadiazol-2-amine
CID 590958

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-phenyl-5-propyl-1,3,4-thiadiazole (CID 14433465) is 2-phenyl-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-phenyl-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-phenyl-5-propyl-1,3,4-thiadiazole is CCCc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-5-propyl-1,3,4-thiadiazole?
The InChIKey is NWVGDGOYYOKEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-6-10-12-13-11(14-10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 2-phenyl-5-propyl-1,3,4-thiadiazole?
2-phenyl-5-propyl-1,3,4-thiadiazole has a molecular weight of 204.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 14433465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).