4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole

C18H14N4S2 — CID 639838

IUPAC4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
SMILESc1ccc(-c2nnsc2CCc2snnc2-c2ccccc2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-13(8-4-1)17-15(23-21-19-17)11-12-16-18(20-22-24-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXZTLFBSPOJVKIV-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.51
Rot. Bonds5

About 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole

4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole (PubChem CID 639838) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole.

Molecular Properties

Compound Name4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
PubChem CID639838
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
SMILESc1ccc(-c2nnsc2CCc2snnc2-c2ccccc2)cc1
InChIInChI=1S/C18H14N4S2/c1-3-7-13(8-4-1)17-15(23-21-19-17)11-12-16-18(20-22-24-16)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXZTLFBSPOJVKIV-UHFFFAOYSA-N
XLogP4.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(bromomethyl)-4-phenylthiadiazole
CID 5325800
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5-methylsulfanyl-4-phenylthiadiazole
CID 1473996
(3S)-4,4-dimethyl-3-(methylamino)-1-(4-phenylthiadiazol-5-yl)pentan-2-one
CID 58153255
5-methylsulfonyl-4-phenylthiadiazole
CID 54573949
[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
CID 65208001
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
N'-hydroxy-4-phenylthiadiazole-5-carboximidamide
CID 136897153
2-(4-phenylthiadiazol-5-yl)isoindole-1,3-dione
CID 2747164
N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
CID 65208946
5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole
CID 3828921
N-methyl-N-phenyl-2-(4-phenylthiadiazol-5-yl)oxyacetamide
CID 67929195

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole?
The IUPAC name of 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole (CID 639838) is 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole.
What is the SMILES notation for 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole?
The canonical SMILES for 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole is c1ccc(-c2nnsc2CCc2snnc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole?
The InChIKey is XZTLFBSPOJVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-3-7-13(8-4-1)17-15(23-21-19-17)11-12-16-18(20-22-24-16)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole?
4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole has a molecular weight of 350.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole is sourced from PubChem (CID 639838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).