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

C13H25BrN4S — CID 44593283

IUPACN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCNC)s2)CC1
InChIInChI=1S/C13H24N4S.BrH/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeySXUMJIWTGTXCPB-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.01
Rot. Bonds6

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

N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (PubChem CID 44593283) has the molecular formula C13H25BrN4S and a molecular weight of 349.34 g/mol. Its IUPAC name is N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.

Molecular Properties

Compound NameN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
PubChem CID44593283
Molecular FormulaC13H25BrN4S
Molecular Weight349.34 g/mol
Exact Mass348.10
IUPAC NameN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCNC)s2)CC1
InChIInChI=1S/C13H24N4S.BrH/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2;/h11,14H,3-10H2,1-2H3;1H
InChIKeySXUMJIWTGTXCPB-UHFFFAOYSA-N
XLogP2.01
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The IUPAC name of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide (CID 44593283) is N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide.
What is the SMILES notation for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The canonical SMILES for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is Br.CCCN1CCN(c2ncc(CCNC)s2)CC1.
What is the InChIKey of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
The InChIKey is SXUMJIWTGTXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S.BrH/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2;/h11,14H,3-10H2,1-2H3;1H.
What are the key properties of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide?
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide has a molecular weight of 349.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine;hydrobromide is sourced from PubChem (CID 44593283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).