2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole

C21H18N2S — CID 139674328

IUPAC2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole
SMILESCC(C)c1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C21H18N2S/c1-14(2)15-10-12-17(13-11-15)20-22-23-21(24-20)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3
InChIKeyLHJDYBJTOWGOQK-UHFFFAOYSA-N
MW330.46 g/mol
LogP6.15
Rot. Bonds3

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

2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole (PubChem CID 139674328) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole
PubChem CID139674328
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole
SMILESCC(C)c1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1
InChIInChI=1S/C21H18N2S/c1-14(2)15-10-12-17(13-11-15)20-22-23-21(24-20)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3
InChIKeyLHJDYBJTOWGOQK-UHFFFAOYSA-N
XLogP6.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
CID 63447079
2-(4-methylphenyl)-5-naphthalen-1-yl-1,3-thiazole
CID 23244777
2-naphthalen-1-yl-5-propan-2-ylpyrimidine
CID 176640404
1-methyl-4-propan-2-ylbenzene;picene
CID 173420307
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
9,9-dimethyl-2-naphthalen-1-yl-7-(3-propan-2-ylphenyl)fluorene
CID 140584073
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,4-dinaphthalen-1-yl-6-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 174244399
2-(4-propan-2-ylphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17349773
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole (CID 139674328) is 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole is CC(C)c1ccc(-c2nnc(-c3cccc4ccccc34)s2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole?
The InChIKey is LHJDYBJTOWGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-14(2)15-10-12-17(13-11-15)20-22-23-21(24-20)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3.
What are the key properties of 2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole?
2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole has a molecular weight of 330.46 g/mol, XLogP of 6.15, 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-(4-propan-2-ylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139674328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).