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

C24H39BrN4S — CID 44593312

IUPACN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1
InChIInChI=1S/C24H38N4S.BrH/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;1H
InChIKeyQFXWLKUYLGJSTM-UHFFFAOYSA-N
MW495.58 g/mol
LogP5.14
Rot. Bonds12

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

N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide (PubChem CID 44593312) has the molecular formula C24H39BrN4S and a molecular weight of 495.58 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;hydrobromide.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
PubChem CID44593312
Molecular FormulaC24H39BrN4S
Molecular Weight495.58 g/mol
Exact Mass494.21
IUPAC NameN-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)CCCCCc3ccccc3)s2)CC1
InChIInChI=1S/C24H38N4S.BrH/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;1H
InChIKeyQFXWLKUYLGJSTM-UHFFFAOYSA-N
XLogP5.14
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.14
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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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;hydrobromide?
The IUPAC name of N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide (CID 44593312) is N-methyl-5-phenyl-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-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide?
The canonical SMILES for N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide is Br.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;hydrobromide?
The InChIKey is QFXWLKUYLGJSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4S.BrH/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;1H.
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;hydrobromide?
N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide has a molecular weight of 495.58 g/mol, XLogP of 5.14, 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;hydrobromide is sourced from PubChem (CID 44593312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).