N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N4S — CID 83017865

IUPACN-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCN(NC2=NC(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H20N4S/c1-17-7-9-18(10-8-17)16-14-15-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16)
InChIKeyAAYVEVPYLHYZRG-UHFFFAOYSA-N
MW276.41 g/mol
LogP1.58
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83017865) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83017865
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCN(NC2=NC(c3ccccc3)CS2)CC1
InChIInChI=1S/C14H20N4S/c1-17-7-9-18(10-8-17)16-14-15-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16)
InChIKeyAAYVEVPYLHYZRG-UHFFFAOYSA-N
XLogP1.58
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-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 N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 83017865) is N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CN1CCN(NC2=NC(c3ccccc3)CS2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AAYVEVPYLHYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17-7-9-18(10-8-17)16-14-15-13(11-19-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,15,16).
What are the key properties of N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83017865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).