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

C16H29BrN4OS — CID 44593285

IUPACN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C(=O)CC)s2)CC1
InChIInChI=1S/C16H28N4OS.BrH/c1-4-7-19-9-11-20(12-10-19)16-17-13-14(22-16)6-8-18(3)15(21)5-2;/h13H,4-12H2,1-3H3;1H
InChIKeyHXGKPYRBGAOTHS-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.66
Rot. Bonds7

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

N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide (PubChem CID 44593285) has the molecular formula C16H29BrN4OS and a molecular weight of 405.41 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide
PubChem CID44593285
Molecular FormulaC16H29BrN4OS
Molecular Weight405.41 g/mol
Exact Mass404.12
IUPAC NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C(=O)CC)s2)CC1
InChIInChI=1S/C16H28N4OS.BrH/c1-4-7-19-9-11-20(12-10-19)16-17-13-14(22-16)6-8-18(3)15(21)5-2;/h13H,4-12H2,1-3H3;1H
InChIKeyHXGKPYRBGAOTHS-UHFFFAOYSA-N
XLogP2.66
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;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]propanamide;hydrobromide?
The IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide (CID 44593285) is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide.
What is the SMILES notation for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide?
The canonical SMILES for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide is Br.CCCN1CCN(c2ncc(CCN(C)C(=O)CC)s2)CC1.
What is the InChIKey of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide?
The InChIKey is HXGKPYRBGAOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS.BrH/c1-4-7-19-9-11-20(12-10-19)16-17-13-14(22-16)6-8-18(3)15(21)5-2;/h13H,4-12H2,1-3H3;1H.
What are the key properties of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide?
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide has a molecular weight of 405.41 g/mol, XLogP of 2.66, 7 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]propanamide;hydrobromide is sourced from PubChem (CID 44593285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).