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

C22H35BrN4S — CID 44593311

IUPACN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1
InChIInChI=1S/C22H34N4S.BrH/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20;/h4-6,8-9,19H,3,7,10-18H2,1-2H3;1H
InChIKeyYILFCTILVIWLHK-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.36
Rot. Bonds10

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

N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide (PubChem CID 44593311) has the molecular formula C22H35BrN4S and a molecular weight of 467.52 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
PubChem CID44593311
Molecular FormulaC22H35BrN4S
Molecular Weight467.52 g/mol
Exact Mass466.18
IUPAC NameN-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1
InChIInChI=1S/C22H34N4S.BrH/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20;/h4-6,8-9,19H,3,7,10-18H2,1-2H3;1H
InChIKeyYILFCTILVIWLHK-UHFFFAOYSA-N
XLogP4.36
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;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-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
The IUPAC name of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide (CID 44593311) is N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide.
What is the SMILES notation for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
The canonical SMILES for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide is Br.CCCN1CCN(c2ncc(CCN(C)CCCc3ccccc3)s2)CC1.
What is the InChIKey of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
The InChIKey is YILFCTILVIWLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4S.BrH/c1-3-12-25-15-17-26(18-16-25)22-23-19-21(27-22)11-14-24(2)13-7-10-20-8-5-4-6-9-20;/h4-6,8-9,19H,3,7,10-18H2,1-2H3;1H.
What are the key properties of N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide has a molecular weight of 467.52 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide is sourced from PubChem (CID 44593311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).