4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C16H19N5S — CID 86804128

IUPAC4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNC(c2ccccc2)c2ncc[nH]2)cs1
InChIInChI=1S/C16H19N5S/c1-21(2)16-20-13(11-22-16)10-19-14(15-17-8-9-18-15)12-6-4-3-5-7-12/h3-9,11,14,19H,10H2,1-2H3,(H,17,18)
InChIKeyZZFOJACNICRCMR-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.81
Rot. Bonds6

About 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 86804128) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID86804128
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNC(c2ccccc2)c2ncc[nH]2)cs1
InChIInChI=1S/C16H19N5S/c1-21(2)16-20-13(11-22-16)10-19-14(15-17-8-9-18-15)12-6-4-3-5-7-12/h3-9,11,14,19H,10H2,1-2H3,(H,17,18)
InChIKeyZZFOJACNICRCMR-UHFFFAOYSA-N
XLogP2.81
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 86804128) is 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(CNC(c2ccccc2)c2ncc[nH]2)cs1.
What is the InChIKey of 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZZFOJACNICRCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-21(2)16-20-13(11-22-16)10-19-14(15-17-8-9-18-15)12-6-4-3-5-7-12/h3-9,11,14,19H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 313.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1H-imidazol-2-yl(phenyl)methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86804128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).