4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile

C15H16N4S — CID 167932096

IUPAC4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CN(Cc2csc(N)n2)C2CC2)cc1
InChIInChI=1S/C15H16N4S/c16-7-11-1-3-12(4-2-11)8-19(14-5-6-14)9-13-10-20-15(17)18-13/h1-4,10,14H,5-6,8-9H2,(H2,17,18)
InChIKeyHWJOEJNWYPKPMQ-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.76
Rot. Bonds5

About 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile

4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile (PubChem CID 167932096) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile
PubChem CID167932096
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CN(Cc2csc(N)n2)C2CC2)cc1
InChIInChI=1S/C15H16N4S/c16-7-11-1-3-12(4-2-11)8-19(14-5-6-14)9-13-10-20-15(17)18-13/h1-4,10,14H,5-6,8-9H2,(H2,17,18)
InChIKeyHWJOEJNWYPKPMQ-UHFFFAOYSA-N
XLogP2.76
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile (CID 167932096) is 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile is N#Cc1ccc(CN(Cc2csc(N)n2)C2CC2)cc1.
What is the InChIKey of 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile?
The InChIKey is HWJOEJNWYPKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-7-11-1-3-12(4-2-11)8-19(14-5-6-14)9-13-10-20-15(17)18-13/h1-4,10,14H,5-6,8-9H2,(H2,17,18).
What are the key properties of 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile?
4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile has a molecular weight of 284.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-1,3-thiazol-4-yl)methyl-cyclopropylamino]methyl]benzonitrile is sourced from PubChem (CID 167932096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).