3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile

C10H14N4S — CID 136519628

IUPAC3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1csnn1)CC1CC1
InChIInChI=1S/C10H14N4S/c11-4-1-5-14(6-9-2-3-9)7-10-8-15-13-12-10/h8-9H,1-3,5-7H2
InChIKeyZXSUMZAWGJZSDB-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.66
Rot. Bonds6

About 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile

3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile (PubChem CID 136519628) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile
PubChem CID136519628
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1csnn1)CC1CC1
InChIInChI=1S/C10H14N4S/c11-4-1-5-14(6-9-2-3-9)7-10-8-15-13-12-10/h8-9H,1-3,5-7H2
InChIKeyZXSUMZAWGJZSDB-UHFFFAOYSA-N
XLogP1.66
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile (CID 136519628) is 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile is N#CCCN(Cc1csnn1)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile?
The InChIKey is ZXSUMZAWGJZSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c11-4-1-5-14(6-9-2-3-9)7-10-8-15-13-12-10/h8-9H,1-3,5-7H2.
What are the key properties of 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile?
3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile has a molecular weight of 222.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(thiadiazol-4-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 136519628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).