2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile

C12H20N4S2 — CID 106805500

IUPAC2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile
SMILESCCc1nsc(SCCCC(C#N)(CC)NC)n1
InChIInChI=1S/C12H20N4S2/c1-4-10-15-11(18-16-10)17-8-6-7-12(5-2,9-13)14-3/h14H,4-8H2,1-3H3
InChIKeySTOGYOIHCMJJDE-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.86
Rot. Bonds8

About 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile

2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile (PubChem CID 106805500) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile
PubChem CID106805500
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile
SMILESCCc1nsc(SCCCC(C#N)(CC)NC)n1
InChIInChI=1S/C12H20N4S2/c1-4-10-15-11(18-16-10)17-8-6-7-12(5-2,9-13)14-3/h14H,4-8H2,1-3H3
InChIKeySTOGYOIHCMJJDE-UHFFFAOYSA-N
XLogP2.86
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
CID 106805499
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
CID 106811158
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
CID 71854450
2-ethyl-2-(methylamino)-5-(3-methylphenyl)sulfanylpentanenitrile
CID 106805278
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
5-[(5-bromo-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentanenitrile
CID 106805439
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(methylamino)pentanenitrile
CID 106805150
5-(2,4-difluorophenyl)sulfanyl-2-ethyl-2-(methylamino)pentanenitrile
CID 106805046
2-ethyl-5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)pentanenitrile
CID 106805369
2-ethyl-2-(methylamino)-5-(2-methylpropylsulfanyl)pentanenitrile
CID 106805009
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]hexan-3-amine
CID 106808506
2-(cyclopropylamino)-2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanenitrile
CID 106805516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile (CID 106805500) is 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile is CCc1nsc(SCCCC(C#N)(CC)NC)n1.
What is the InChIKey of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile?
The InChIKey is STOGYOIHCMJJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-4-10-15-11(18-16-10)17-8-6-7-12(5-2,9-13)14-3/h14H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile?
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile has a molecular weight of 284.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106805500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).