5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole

C14H18N2S2 — CID 14294225

IUPAC5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole
SMILESCCSc1nnsc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2S2/c1-5-17-13-12(18-16-15-13)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3
InChIKeyITWHONLSXXPAIT-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.61
Rot. Bonds3

About 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole

5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole (PubChem CID 14294225) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole
PubChem CID14294225
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole
SMILESCCSc1nnsc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H18N2S2/c1-5-17-13-12(18-16-15-13)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3
InChIKeyITWHONLSXXPAIT-UHFFFAOYSA-N
XLogP4.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole?
The IUPAC name of 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole (CID 14294225) is 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole is CCSc1nnsc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole?
The InChIKey is ITWHONLSXXPAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-5-17-13-12(18-16-15-13)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole?
5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole has a molecular weight of 278.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-4-ethylsulfanylthiadiazole is sourced from PubChem (CID 14294225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).