2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole

C15H14N2S — CID 166447384

IUPAC2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H14N2S/c1-2-6-14-16-17-15(18-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKeyLLXBQWHFNYZMGW-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.31
Rot. Bonds3

About 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole

2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole (PubChem CID 166447384) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole
PubChem CID166447384
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H14N2S/c1-2-6-14-16-17-15(18-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
InChIKeyLLXBQWHFNYZMGW-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
2-Methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 935041
[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
1-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684149
N-methyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684159
N,N-dimethyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684161
(5-Naphthalen-1-yl-1,3,4-thiadiazol-2-yl)hydrazine;hydrochloride
CID 45263001
2-(5-Naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45265742
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole (CID 166447384) is 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole is CCCc1nnc(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole?
The InChIKey is LLXBQWHFNYZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-14-16-17-15(18-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole?
2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole has a molecular weight of 254.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 166447384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).