N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine

C24H38N4S — CID 42604652

IUPACN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine
SMILESCCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1
InChIInChI=1S/C24H38N4S/c1-3-14-27-17-19-28(20-18-27)24-25-21-23(29-24)13-16-26(2)15-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,21H,3,5,8-9,12-20H2,1-2H3
InChIKeyKBYPSHMQTHLWMB-UHFFFAOYSA-N
MW414.66 g/mol
LogP4.56
Rot. Bonds12

About N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine

N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine (PubChem CID 42604652) has the molecular formula C24H38N4S and a molecular weight of 414.66 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine
PubChem CID42604652
Molecular FormulaC24H38N4S
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC NameN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine
SMILESCCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1
InChIInChI=1S/C24H38N4S/c1-3-14-27-17-19-28(20-18-27)24-25-21-23(29-24)13-16-26(2)15-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,21H,3,5,8-9,12-20H2,1-2H3
InChIKeyKBYPSHMQTHLWMB-UHFFFAOYSA-N
XLogP4.56
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-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-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine?
The IUPAC name of N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine (CID 42604652) is N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine is CCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1.
What is the InChIKey of N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine?
The InChIKey is KBYPSHMQTHLWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4S/c1-3-14-27-17-19-28(20-18-27)24-25-21-23(29-24)13-16-26(2)15-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,21H,3,5,8-9,12-20H2,1-2H3.
What are the key properties of N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine?
N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine has a molecular weight of 414.66 g/mol, XLogP of 4.56, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 42604652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).