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

C6H8N4S2 — CID 9379512

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCCNc1nnc(SCC#N)s1
InChIInChI=1S/C6H8N4S2/c1-2-8-5-9-10-6(12-5)11-4-3-7/h2,4H2,1H3,(H,8,9)
InChIKeyHDOVBWOPQRFSEF-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.59
Rot. Bonds4

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

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 9379512) has the molecular formula C6H8N4S2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID9379512
Molecular FormulaC6H8N4S2
Molecular Weight200.29 g/mol
Exact Mass200.02
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCCNc1nnc(SCC#N)s1
InChIInChI=1S/C6H8N4S2/c1-2-8-5-9-10-6(12-5)11-4-3-7/h2,4H2,1H3,(H,8,9)
InChIKeyHDOVBWOPQRFSEF-UHFFFAOYSA-N
XLogP1.59
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (CID 9379512) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is CCNc1nnc(SCC#N)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is HDOVBWOPQRFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S2/c1-2-8-5-9-10-6(12-5)11-4-3-7/h2,4H2,1H3,(H,8,9).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 200.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 9379512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).