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

C14H27BrN4S — CID 44593287

IUPACN,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C)s2)CC1
InChIInChI=1S/C14H26N4S.BrH/c1-4-6-17-8-10-18(11-9-17)14-15-12-13(19-14)5-7-16(2)3;/h12H,4-11H2,1-3H3;1H
InChIKeyXLJFULQAAGDHQA-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.36
Rot. Bonds6

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

N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (PubChem CID 44593287) has the molecular formula C14H27BrN4S and a molecular weight of 363.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
PubChem CID44593287
Molecular FormulaC14H27BrN4S
Molecular Weight363.37 g/mol
Exact Mass362.11
IUPAC NameN,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C)s2)CC1
InChIInChI=1S/C14H26N4S.BrH/c1-4-6-17-8-10-18(11-9-17)14-15-12-13(19-14)5-7-16(2)3;/h12H,4-11H2,1-3H3;1H
InChIKeyXLJFULQAAGDHQA-UHFFFAOYSA-N
XLogP2.36
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (CID 44593287) is N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is Br.CCCN1CCN(c2ncc(CCN(C)C)s2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The InChIKey is XLJFULQAAGDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S.BrH/c1-4-6-17-8-10-18(11-9-17)14-15-12-13(19-14)5-7-16(2)3;/h12H,4-11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide has a molecular weight of 363.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 44593287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).