2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

C10H11N3OS2 — CID 3242010

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESOCCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H11N3OS2/c14-6-7-15-10-13-12-9(16-10)11-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12)
InChIKeyWVXJMKWHXSHISK-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.37
Rot. Bonds5

About 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (PubChem CID 3242010) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
PubChem CID3242010
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
SMILESOCCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H11N3OS2/c14-6-7-15-10-13-12-9(16-10)11-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12)
InChIKeyWVXJMKWHXSHISK-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol with MolForge

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155539332
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155545564
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexan-1-one
CID 3631501
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 4881920
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine
CID 2114383
1-(4-Fluorophenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 660229
1-Phenyl-3-(5-(propylthio)-1,3,4-thiadiazol-2-yl)urea
CID 660808
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
CID 2488470
N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
CID 135971353

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol (CID 3242010) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is OCCSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
The InChIKey is WVXJMKWHXSHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c14-6-7-15-10-13-12-9(16-10)11-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,11,12).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 3242010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).