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

C20H31BrN4S — CID 44593310

IUPACN-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H30N4S.BrH/c1-3-10-23-12-14-24(15-13-23)20-21-16-19(25-20)9-11-22(2)17-18-7-5-4-6-8-18;/h4-8,16H,3,9-15,17H2,1-2H3;1H
InChIKeyQFIWXNTZRKVEQP-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.93
Rot. Bonds8

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

N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (PubChem CID 44593310) has the molecular formula C20H31BrN4S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
PubChem CID44593310
Molecular FormulaC20H31BrN4S
Molecular Weight439.47 g/mol
Exact Mass438.15
IUPAC NameN-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)Cc3ccccc3)s2)CC1
InChIInChI=1S/C20H30N4S.BrH/c1-3-10-23-12-14-24(15-13-23)20-21-16-19(25-20)9-11-22(2)17-18-7-5-4-6-8-18;/h4-8,16H,3,9-15,17H2,1-2H3;1H
InChIKeyQFIWXNTZRKVEQP-UHFFFAOYSA-N
XLogP3.93
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
2-(4-Benzylpiperazino)-1,3-thiazole-5-carbaldehyde
CID 1474677
5-(3-phenyl-4-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 117918945
N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 42604517
N-methyl-3-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
CID 44593311
N-methyl-5-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]pentan-1-amine;hydrobromide
CID 44593312
5-phenyl-N-(6-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 70691636
N,4-dimethyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]benzamide;dihydrobromide
CID 76316806
N-methyl-2-(4-methylphenyl)-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]ethanamine;trihydrobromide
CID 76316808
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]benzamide;dihydrobromide
CID 76334967
N-methyl-2-phenyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]ethanamine;trihydrobromide
CID 76334969
2-{[2-(4-Phenylpiperazino)-1,3-thiazol-5-yl]methylene}malononitrile
CID 1490885

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (CID 44593310) is N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is Br.CCCN1CCN(c2ncc(CCN(C)Cc3ccccc3)s2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The InChIKey is QFIWXNTZRKVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4S.BrH/c1-3-10-23-12-14-24(15-13-23)20-21-16-19(25-20)9-11-22(2)17-18-7-5-4-6-8-18;/h4-8,16H,3,9-15,17H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide has a molecular weight of 439.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 44593310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).