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

C15H14N2S — CID 146169739

IUPAC2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H14N2S/c1-2-5-14-16-17-15(18-14)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKeyUTUTXOCZDYMQQP-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.31
Rot. Bonds3

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

2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole (PubChem CID 146169739) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole
PubChem CID146169739
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H14N2S/c1-2-5-14-16-17-15(18-14)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3
InChIKeyUTUTXOCZDYMQQP-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-Amino-5-(9-anthryl)-1,3,4-thiadiazole
CID 17603805
[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
N,N-dimethyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684161
2-(5-Naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45265742
2-(2-Fluoro-4'-propyl-biphenyl-4-yl)-5-nonyl-[1,3,4]thiadiazole
CID 18997770
2-Butyl-5-(2,3-difluoro-4'-pentyl-biphenyl-4-yl)-[1,3,4]thiadiazole
CID 19763057
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-(3-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 44556653

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole (CID 146169739) is 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole is CCCc1nnc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole?
The InChIKey is UTUTXOCZDYMQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-5-14-16-17-15(18-14)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 2-naphthalen-2-yl-5-propyl-1,3,4-thiadiazole?
2-naphthalen-2-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-2-yl-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 146169739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).