5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine

C16H15N3OS2 — CID 2161516

IUPAC5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3OS2/c1-3-7-13(8-4-1)17-15-18-19-16(22-15)21-12-11-20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyGQJRRTAIMUEESB-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.45
Rot. Bonds7

About 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine

5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 2161516) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID2161516
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3OS2/c1-3-7-13(8-4-1)17-15-18-19-16(22-15)21-12-11-20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18)
InChIKeyGQJRRTAIMUEESB-UHFFFAOYSA-N
XLogP4.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
N-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 2659144
4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzoic acid
CID 28916143
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3944918
5-(2-phenoxyethylsulfanyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797226
N-(2-fluorophenyl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 4694592
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonamide
CID 167939499
N-[3-[[5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 46596252
5-[2-(3-methylphenoxy)ethylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 7753952
4-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethoxy]benzonitrile
CID 42976270
N-(oxolan-2-ylmethyl)-5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 46540448
5-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 23790137

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine (CID 2161516) is 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(SCCOc3ccccc3)s2)cc1.
What is the InChIKey of 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GQJRRTAIMUEESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-3-7-13(8-4-1)17-15-18-19-16(22-15)21-12-11-20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18).
What are the key properties of 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine?
5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethylsulfanyl)-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2161516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).