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

C15H14N2S — CID 18340618

IUPAC2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H14N2S/c1-10(2)14-16-17-15(18-14)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKeyLOPCRRNESKWYML-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.48
Rot. Bonds2

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

2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 18340618) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID18340618
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H14N2S/c1-10(2)14-16-17-15(18-14)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
InChIKeyLOPCRRNESKWYML-UHFFFAOYSA-N
XLogP4.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
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-Naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45265742
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161
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
2-Butan-2-yl-5-phenyl-1,3,4-thiadiazole
CID 59503100
2-Cyclohexyl-5-phenyl-1,3,4-thiadiazole
CID 134968046
1-[5-(Biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride
CID 139059637

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole (CID 18340618) is 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is LOPCRRNESKWYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10(2)14-16-17-15(18-14)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3.
What are the key properties of 2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole?
2-naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 254.36 g/mol, XLogP of 4.48, 2 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-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 18340618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).