2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile

C10H17N5S2 — CID 55242600

IUPAC2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile
SMILESCN(C)c1nnc(SCCCC(C)(N)C#N)s1
InChIInChI=1S/C10H17N5S2/c1-10(12,7-11)5-4-6-16-9-14-13-8(17-9)15(2)3/h4-6,12H2,1-3H3
InChIKeyMTQKCZOGVTVCIL-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile

2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile (PubChem CID 55242600) has the molecular formula C10H17N5S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile
PubChem CID55242600
Molecular FormulaC10H17N5S2
Molecular Weight271.41 g/mol
Exact Mass271.09
IUPAC Name2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile
SMILESCN(C)c1nnc(SCCCC(C)(N)C#N)s1
InChIInChI=1S/C10H17N5S2/c1-10(12,7-11)5-4-6-16-9-14-13-8(17-9)15(2)3/h4-6,12H2,1-3H3
InChIKeyMTQKCZOGVTVCIL-UHFFFAOYSA-N
XLogP1.72
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile?
The IUPAC name of 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile (CID 55242600) is 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile?
The canonical SMILES for 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile is CN(C)c1nnc(SCCCC(C)(N)C#N)s1.
What is the InChIKey of 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile?
The InChIKey is MTQKCZOGVTVCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S2/c1-10(12,7-11)5-4-6-16-9-14-13-8(17-9)15(2)3/h4-6,12H2,1-3H3.
What are the key properties of 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile?
2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile has a molecular weight of 271.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentanenitrile is sourced from PubChem (CID 55242600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).