2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile

C6H8N4S — CID 131134565

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
SMILESCCc1nsc(NCC#N)n1
InChIInChI=1S/C6H8N4S/c1-2-5-9-6(11-10-5)8-4-3-7/h2,4H2,1H3,(H,8,9,10)
InChIKeyRPOBCPLEVYXFQK-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.04
Rot. Bonds3

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile (PubChem CID 131134565) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
PubChem CID131134565
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
SMILESCCc1nsc(NCC#N)n1
InChIInChI=1S/C6H8N4S/c1-2-5-9-6(11-10-5)8-4-3-7/h2,4H2,1H3,(H,8,9,10)
InChIKeyRPOBCPLEVYXFQK-UHFFFAOYSA-N
XLogP1.04
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile (CID 131134565) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile is CCc1nsc(NCC#N)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile?
The InChIKey is RPOBCPLEVYXFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-2-5-9-6(11-10-5)8-4-3-7/h2,4H2,1H3,(H,8,9,10).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile has a molecular weight of 168.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile is sourced from PubChem (CID 131134565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).