2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile

C14H12N4S — CID 115331832

IUPAC2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
SMILESCN(Cc1cn2ccsc2n1)c1ccccc1C#N
InChIInChI=1S/C14H12N4S/c1-17(13-5-3-2-4-11(13)8-15)9-12-10-18-6-7-19-14(18)16-12/h2-7,10H,9H2,1H3
InChIKeyOHTRMZMXEDEKCV-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.90
Rot. Bonds3

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

2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile (PubChem CID 115331832) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
PubChem CID115331832
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile
SMILESCN(Cc1cn2ccsc2n1)c1ccccc1C#N
InChIInChI=1S/C14H12N4S/c1-17(13-5-3-2-4-11(13)8-15)9-12-10-18-6-7-19-14(18)16-12/h2-7,10H,9H2,1H3
InChIKeyOHTRMZMXEDEKCV-UHFFFAOYSA-N
XLogP2.90
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile?
The IUPAC name of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile (CID 115331832) is 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile?
The canonical SMILES for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile is CN(Cc1cn2ccsc2n1)c1ccccc1C#N.
What is the InChIKey of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile?
The InChIKey is OHTRMZMXEDEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-17(13-5-3-2-4-11(13)8-15)9-12-10-18-6-7-19-14(18)16-12/h2-7,10H,9H2,1H3.
What are the key properties of 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile?
2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile has a molecular weight of 268.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazo[2,1-b][1,3]thiazol-6-ylmethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 115331832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).