2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile

C10H15N5S2 — CID 63736626

IUPAC2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
SMILESCN(C)c1nnc(SCC(C#N)NC2CC2)s1
InChIInChI=1S/C10H15N5S2/c1-15(2)9-13-14-10(17-9)16-6-8(5-11)12-7-3-4-7/h7-8,12H,3-4,6H2,1-2H3
InChIKeyGTZRCIUYOQVHDC-UHFFFAOYSA-N
MW269.40 g/mol
LogP1.34
Rot. Bonds6

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

2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile (PubChem CID 63736626) has the molecular formula C10H15N5S2 and a molecular weight of 269.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
PubChem CID63736626
Molecular FormulaC10H15N5S2
Molecular Weight269.40 g/mol
Exact Mass269.08
IUPAC Name2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
SMILESCN(C)c1nnc(SCC(C#N)NC2CC2)s1
InChIInChI=1S/C10H15N5S2/c1-15(2)9-13-14-10(17-9)16-6-8(5-11)12-7-3-4-7/h7-8,12H,3-4,6H2,1-2H3
InChIKeyGTZRCIUYOQVHDC-UHFFFAOYSA-N
XLogP1.34
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile (CID 63736626) is 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile is CN(C)c1nnc(SCC(C#N)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile?
The InChIKey is GTZRCIUYOQVHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S2/c1-15(2)9-13-14-10(17-9)16-6-8(5-11)12-7-3-4-7/h7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile?
2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile has a molecular weight of 269.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile is sourced from PubChem (CID 63736626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).