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

C10H8N4S2 — CID 2488470

IUPAC2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H8N4S2/c11-6-7-15-10-14-13-9(16-10)12-8-4-2-1-3-5-8/h1-5H,7H2,(H,12,13)
InChIKeyPVGHEECJOMJUDZ-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.90
Rot. Bonds4

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

2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (PubChem CID 2488470) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
PubChem CID2488470
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Nc2ccccc2)s1
InChIInChI=1S/C10H8N4S2/c11-6-7-15-10-14-13-9(16-10)12-8-4-2-1-3-5-8/h1-5H,7H2,(H,12,13)
InChIKeyPVGHEECJOMJUDZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
5-Anilino-1,2,3,4-thiatriazole
CID 83115
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
CID 698762
1-(4-Bromophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155511444
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
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
CID 718655

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile (CID 2488470) is 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile is N#CCSc1nnc(Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
The InChIKey is PVGHEECJOMJUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c11-6-7-15-10-14-13-9(16-10)12-8-4-2-1-3-5-8/h1-5H,7H2,(H,12,13).
What are the key properties of 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile?
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetonitrile has a molecular weight of 248.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 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]acetonitrile is sourced from PubChem (CID 2488470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).