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

C10H11N3OS2 — CID 659931

IUPAC5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCOc2ccccc2)s1
InChIInChI=1S/C10H11N3OS2/c11-9-12-13-10(16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyQYUQIVQGVCXZOJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.29
Rot. Bonds5

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

5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 659931) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID659931
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCCOc2ccccc2)s1
InChIInChI=1S/C10H11N3OS2/c11-9-12-13-10(16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyQYUQIVQGVCXZOJ-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.29
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

N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 840138
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
5-[3-(4-Fluorophenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7760101
5-((2-(4-Bromophenoxy)ethyl)thio)-1,3,4-thiadiazol-2-amine
CID 2379640
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[2-(3-Bromophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2468640
5-(3-Fluoro-4-methoxy-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 644845
5-((2-Fluorophenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 811168
Isobutyl {5-[(2-phenoxyethyl)thio]-1,3,4-thiadiazol-2-yl}carbamate
CID 2201256
5-[2-(4-Propoxyphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2456618
2-Methyl-5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazole
CID 4221172
5-{[4-(1,1,2,2-Tetrafluoroethoxy)phenyl]methylthio}-1,3,4-thiadiazole-2-ylamin e
CID 800013

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 659931) is 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCCOc2ccccc2)s1.
What is the InChIKey of 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QYUQIVQGVCXZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c11-9-12-13-10(16-9)15-7-6-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12).
What are the key properties of 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 659931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).