3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile

C8H13N5S — CID 62183188

IUPAC3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1nnsc1N
InChIInChI=1S/C8H13N5S/c1-6(3-9)4-13(2)5-7-8(10)14-12-11-7/h6H,4-5,10H2,1-2H3
InChIKeyZEIMYYUUTZMFLA-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.71
Rot. Bonds4

About 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile

3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile (PubChem CID 62183188) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile
PubChem CID62183188
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)Cc1nnsc1N
InChIInChI=1S/C8H13N5S/c1-6(3-9)4-13(2)5-7-8(10)14-12-11-7/h6H,4-5,10H2,1-2H3
InChIKeyZEIMYYUUTZMFLA-UHFFFAOYSA-N
XLogP0.71
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile (CID 62183188) is 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)Cc1nnsc1N.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile?
The InChIKey is ZEIMYYUUTZMFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-6(3-9)4-13(2)5-7-8(10)14-12-11-7/h6H,4-5,10H2,1-2H3.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile?
3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile has a molecular weight of 211.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 62183188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).