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

C13H26N4S — CID 106285529

IUPACN-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NN2CCN(C)CC2)S1
InChIInChI=1S/C13H26N4S/c1-4-11(5-2)12-10-14-13(18-12)15-17-8-6-16(3)7-9-17/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyIMYVOVHMPGIPMK-UHFFFAOYSA-N
MW270.45 g/mol
LogP1.65
Rot. Bonds4

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

N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285529) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285529
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NN2CCN(C)CC2)S1
InChIInChI=1S/C13H26N4S/c1-4-11(5-2)12-10-14-13(18-12)15-17-8-6-16(3)7-9-17/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyIMYVOVHMPGIPMK-UHFFFAOYSA-N
XLogP1.65
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-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)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285529) is N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NN2CCN(C)CC2)S1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IMYVOVHMPGIPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-4-11(5-2)12-10-14-13(18-12)15-17-8-6-16(3)7-9-17/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylpiperazin-1-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.45 g/mol, XLogP of 1.65, 4 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)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).