3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile

C15H14N4S — CID 115331821

IUPAC3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile
SMILESN#CCCN(Cc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C15H14N4S/c16-7-4-8-18(14-5-2-1-3-6-14)11-13-12-19-9-10-20-15(19)17-13/h1-3,5-6,9-10,12H,4,8,11H2
InChIKeyHVBYQCXGCSLHSZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.32
Rot. Bonds5

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

3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile (PubChem CID 115331821) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile.

Molecular Properties

Compound Name3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile
PubChem CID115331821
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile
SMILESN#CCCN(Cc1cn2ccsc2n1)c1ccccc1
InChIInChI=1S/C15H14N4S/c16-7-4-8-18(14-5-2-1-3-6-14)11-13-12-19-9-10-20-15(19)17-13/h1-3,5-6,9-10,12H,4,8,11H2
InChIKeyHVBYQCXGCSLHSZ-UHFFFAOYSA-N
XLogP3.32
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile?
The IUPAC name of 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile (CID 115331821) is 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile.
What is the SMILES notation for 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile?
The canonical SMILES for 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile is N#CCCN(Cc1cn2ccsc2n1)c1ccccc1.
What is the InChIKey of 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile?
The InChIKey is HVBYQCXGCSLHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-7-4-8-18(14-5-2-1-3-6-14)11-13-12-19-9-10-20-15(19)17-13/h1-3,5-6,9-10,12H,4,8,11H2.
What are the key properties of 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile?
3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile has a molecular weight of 282.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)anilino]propanenitrile is sourced from PubChem (CID 115331821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).