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

C18H35BrN4S — CID 44593309

IUPACN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
SMILESBr.CCCCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C18H34N4S.BrH/c1-4-6-7-10-20(3)11-8-17-16-19-18(23-17)22-14-12-21(9-5-2)13-15-22;/h16H,4-15H2,1-3H3;1H
InChIKeyDLCPMBBDKFWYLO-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.92
Rot. Bonds10

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

N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide (PubChem CID 44593309) has the molecular formula C18H35BrN4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
PubChem CID44593309
Molecular FormulaC18H35BrN4S
Molecular Weight419.48 g/mol
Exact Mass418.18
IUPAC NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
SMILESBr.CCCCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C18H34N4S.BrH/c1-4-6-7-10-20(3)11-8-17-16-19-18(23-17)22-14-12-21(9-5-2)13-15-22;/h16H,4-15H2,1-3H3;1H
InChIKeyDLCPMBBDKFWYLO-UHFFFAOYSA-N
XLogP3.92
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593264
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
CID 44593265
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593283
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
CID 44593284
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propanamide;hydrobromide
CID 44593285
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentanamide;hydrobromide
CID 44593286
N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
CID 44593287
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
CID 44593288
1-(5-Ethyl-1,3-thiazol-2-yl)piperazine
CID 54595657
5-[2-(dimethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 13637172
5-Methyl-2-piperidin-1-yl-1,3-thiazole
CID 67356988
2-[2-(4-Propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 42604369

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide?
The IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide (CID 44593309) is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide.
What is the SMILES notation for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide?
The canonical SMILES for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide is Br.CCCCCN(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]pentan-1-amine;hydrobromide?
The InChIKey is DLCPMBBDKFWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4S.BrH/c1-4-6-7-10-20(3)11-8-17-16-19-18(23-17)22-14-12-21(9-5-2)13-15-22;/h16H,4-15H2,1-3H3;1H.
What are the key properties of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide?
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide has a molecular weight of 419.48 g/mol, XLogP of 3.92, 10 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]pentan-1-amine;hydrobromide is sourced from PubChem (CID 44593309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).