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

C14H22N4S2 — CID 106805499

IUPAC2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
SMILESCCc1nsc(SCCCC(C#N)(CC)NC2CC2)n1
InChIInChI=1S/C14H22N4S2/c1-3-12-16-13(20-18-12)19-9-5-8-14(4-2,10-15)17-11-6-7-11/h11,17H,3-9H2,1-2H3
InChIKeyMCXLEBFHKOXVSU-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.40
Rot. Bonds9

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

2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile (PubChem CID 106805499) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
PubChem CID106805499
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
SMILESCCc1nsc(SCCCC(C#N)(CC)NC2CC2)n1
InChIInChI=1S/C14H22N4S2/c1-3-12-16-13(20-18-12)19-9-5-8-14(4-2,10-15)17-11-6-7-11/h11,17H,3-9H2,1-2H3
InChIKeyMCXLEBFHKOXVSU-UHFFFAOYSA-N
XLogP3.40
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.40
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-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentanenitrile
CID 106805500
2-(cyclopropylamino)-2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanenitrile
CID 106805516
2-(cyclopropylamino)-2-ethyl-5-methylsulfanylpentanenitrile
CID 106805271
2-(cyclopropylamino)-5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-ethylpentanenitrile
CID 106924825
2-(cyclopropylamino)-2-ethyl-5-(1-methylpyrazol-4-yl)sulfanylpentanenitrile
CID 106805297
5-tert-butylsulfanyl-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805078
2-(cyclopropylamino)-5-(2,5-dimethylphenyl)sulfanyl-2-ethylpentanenitrile
CID 106805224
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
CID 71854450
2-(cyclopropylamino)-2-ethyl-5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pentanenitrile
CID 106805017
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
CID 106811158
5-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-ethylpentanenitrile
CID 106805548
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile (CID 106805499) is 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile is CCc1nsc(SCCCC(C#N)(CC)NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile?
The InChIKey is MCXLEBFHKOXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-3-12-16-13(20-18-12)19-9-5-8-14(4-2,10-15)17-11-6-7-11/h11,17H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile?
2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile has a molecular weight of 310.49 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile is sourced from PubChem (CID 106805499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).