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

C14H12N4S — CID 115279005

IUPAC3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H12N4S/c15-7-11-2-1-3-12(6-11)8-16-9-13-10-18-4-5-19-14(18)17-13/h1-6,10,16H,8-9H2
InChIKeyHBBHAYZKHSDYBK-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.56
Rot. Bonds4

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

3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile (PubChem CID 115279005) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
PubChem CID115279005
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
SMILESN#Cc1cccc(CNCc2cn3ccsc3n2)c1
InChIInChI=1S/C14H12N4S/c15-7-11-2-1-3-12(6-11)8-16-9-13-10-18-4-5-19-14(18)17-13/h1-6,10,16H,8-9H2
InChIKeyHBBHAYZKHSDYBK-UHFFFAOYSA-N
XLogP2.56
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
3-[(1,3-thiazol-2-ylmethylamino)methyl]benzonitrile
CID 60960478
3-[(pyrimidin-5-ylmethylamino)methyl]benzonitrile
CID 55110281
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
3-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28670946
3-[[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]methyl]benzonitrile
CID 66268935
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
4-[[(3-cyanophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63883271
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-methylphenoxy)ethanamine
CID 115278977
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249562

Frequently Asked Questions

What is the IUPAC name of 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile?
The IUPAC name of 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile (CID 115279005) is 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile.
What is the SMILES notation for 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile?
The canonical SMILES for 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile is N#Cc1cccc(CNCc2cn3ccsc3n2)c1.
What is the InChIKey of 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile?
The InChIKey is HBBHAYZKHSDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-7-11-2-1-3-12(6-11)8-16-9-13-10-18-4-5-19-14(18)17-13/h1-6,10,16H,8-9H2.
What are the key properties of 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile?
3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile has a molecular weight of 268.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile is sourced from PubChem (CID 115279005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).