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

C7H10N4S2 — CID 9378682

IUPAC2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCCCNc1nnc(SCC#N)s1
InChIInChI=1S/C7H10N4S2/c1-2-4-9-6-10-11-7(13-6)12-5-3-8/h2,4-5H2,1H3,(H,9,10)
InChIKeyFYZDKSWFQVIMHI-UHFFFAOYSA-N
MW214.32 g/mol
LogP1.98
Rot. Bonds5

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

2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 9378682) has the molecular formula C7H10N4S2 and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID9378682
Molecular FormulaC7H10N4S2
Molecular Weight214.32 g/mol
Exact Mass214.03
IUPAC Name2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
SMILESCCCNc1nnc(SCC#N)s1
InChIInChI=1S/C7H10N4S2/c1-2-4-9-6-10-11-7(13-6)12-5-3-8/h2,4-5H2,1H3,(H,9,10)
InChIKeyFYZDKSWFQVIMHI-UHFFFAOYSA-N
XLogP1.98
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile (CID 9378682) is 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is CCCNc1nnc(SCC#N)s1.
What is the InChIKey of 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is FYZDKSWFQVIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S2/c1-2-4-9-6-10-11-7(13-6)12-5-3-8/h2,4-5H2,1H3,(H,9,10).
What are the key properties of 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 214.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 9378682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).