3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile

C12H14N4S — CID 79004072

IUPAC3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C12H14N4S/c13-4-1-5-15(11-2-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-3,5,8H2
InChIKeyAMOLEKCPHLEXAC-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.27
Rot. Bonds5

About 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile

3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile (PubChem CID 79004072) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile
PubChem CID79004072
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile
SMILESN#CCCN(Cc1cn2ccsc2n1)C1CC1
InChIInChI=1S/C12H14N4S/c13-4-1-5-15(11-2-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-3,5,8H2
InChIKeyAMOLEKCPHLEXAC-UHFFFAOYSA-N
XLogP2.27
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile (CID 79004072) is 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile is N#CCCN(Cc1cn2ccsc2n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile?
The InChIKey is AMOLEKCPHLEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-4-1-5-15(11-2-3-11)8-10-9-16-6-7-17-12(16)14-10/h6-7,9,11H,1-3,5,8H2.
What are the key properties of 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile?
3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile has a molecular weight of 246.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 79004072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).