3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile

C9H15N5S — CID 80606201

IUPAC3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
SMILESCCN(CCC#N)Cc1nnc(NC)s1
InChIInChI=1S/C9H15N5S/c1-3-14(6-4-5-10)7-8-12-13-9(11-2)15-8/h3-4,6-7H2,1-2H3,(H,11,13)
InChIKeyKWZUUZMABFTUNM-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.32
Rot. Bonds6

About 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile

3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile (PubChem CID 80606201) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
PubChem CID80606201
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC Name3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile
SMILESCCN(CCC#N)Cc1nnc(NC)s1
InChIInChI=1S/C9H15N5S/c1-3-14(6-4-5-10)7-8-12-13-9(11-2)15-8/h3-4,6-7H2,1-2H3,(H,11,13)
InChIKeyKWZUUZMABFTUNM-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-(2-methylpropyl)amino]propanenitrile
CID 80614069
5-[[bis(3-methylbutyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 107871071
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 80610163
3-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]propanenitrile
CID 79771664
5-[2-(diethylamino)ethylsulfanylmethyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80614571
2-[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-1-ol
CID 104554429
3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
CID 62244391
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile?
The IUPAC name of 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile (CID 80606201) is 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile is CCN(CCC#N)Cc1nnc(NC)s1.
What is the InChIKey of 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile?
The InChIKey is KWZUUZMABFTUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-3-14(6-4-5-10)7-8-12-13-9(11-2)15-8/h3-4,6-7H2,1-2H3,(H,11,13).
What are the key properties of 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile?
3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile has a molecular weight of 225.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 80606201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).