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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Related Compounds

3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562
6-[(Phenylmethylthio)methyl]imidazo[2,1-b]thiazole
CID 2997803
Sdccgsbi-0096861.P001
CID 3805128
4-[2-(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]-2-pyrimidinamine
CID 5916724
6-(4-Iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 868205
4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 877648
6-(Thiophen-2-yl)imidazo[2,1-b][1,3]thiazole
CID 4164759
5-(2-Thiazol-5-yl-benzoimidazol-1-yl)-pentanenitrile
CID 652118
6-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}imidazo[2,1-b][1,3]thiazole
CID 658983
5-bromo-6-{[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}imidazo[2,1-b][1,3]thiazole
CID 1394374
6-Methyl-7-(2-methylbenzyl)imidazo[2,1-b][1,3]thiazol-7-ium bromide
CID 2828874

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).