N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide

C18H33BrN4OS — CID 44593286

IUPACN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide
SMILESBr.CCCCC(=O)N(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C18H32N4OS.BrH/c1-4-6-7-17(23)20(3)10-8-16-15-19-18(24-16)22-13-11-21(9-5-2)12-14-22;/h15H,4-14H2,1-3H3;1H
InChIKeyVXPIZIGVMHOHCW-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.44
Rot. Bonds9

About N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide

N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide (PubChem CID 44593286) has the molecular formula C18H33BrN4OS and a molecular weight of 433.46 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide
PubChem CID44593286
Molecular FormulaC18H33BrN4OS
Molecular Weight433.46 g/mol
Exact Mass432.16
IUPAC NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide
SMILESBr.CCCCC(=O)N(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C18H32N4OS.BrH/c1-4-6-7-17(23)20(3)10-8-16-15-19-18(24-16)22-13-11-21(9-5-2)12-14-22;/h15H,4-14H2,1-3H3;1H
InChIKeyVXPIZIGVMHOHCW-UHFFFAOYSA-N
XLogP3.44
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide 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-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide?
The IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide (CID 44593286) is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide.
What is the SMILES notation for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide?
The canonical SMILES for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide is Br.CCCCC(=O)N(C)CCc1cnc(N2CCN(CCC)CC2)s1.
What is the InChIKey of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide?
The InChIKey is VXPIZIGVMHOHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4OS.BrH/c1-4-6-7-17(23)20(3)10-8-16-15-19-18(24-16)22-13-11-21(9-5-2)12-14-22;/h15H,4-14H2,1-3H3;1H.
What are the key properties of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide?
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide has a molecular weight of 433.46 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide is sourced from PubChem (CID 44593286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).