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

C16H31BrN4S — CID 44593288

IUPACN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
SMILESBr.CCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C16H30N4S.BrH/c1-4-7-18(3)9-6-15-14-17-16(21-15)20-12-10-19(8-5-2)11-13-20;/h14H,4-13H2,1-3H3;1H
InChIKeyQFPREIIVBRSVEP-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.14
Rot. Bonds8

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

N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide (PubChem CID 44593288) has the molecular formula C16H31BrN4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
PubChem CID44593288
Molecular FormulaC16H31BrN4S
Molecular Weight391.42 g/mol
Exact Mass390.15
IUPAC NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide
SMILESBr.CCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1
InChIInChI=1S/C16H30N4S.BrH/c1-4-7-18(3)9-6-15-14-17-16(21-15)20-12-10-19(8-5-2)11-13-20;/h14H,4-13H2,1-3H3;1H
InChIKeyQFPREIIVBRSVEP-UHFFFAOYSA-N
XLogP3.14
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
The IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide (CID 44593288) is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide.
What is the SMILES notation for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
The canonical SMILES for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide is Br.CCCN(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]propan-1-amine;hydrobromide?
The InChIKey is QFPREIIVBRSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S.BrH/c1-4-7-18(3)9-6-15-14-17-16(21-15)20-12-10-19(8-5-2)11-13-20;/h14H,4-13H2,1-3H3;1H.
What are the key properties of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide?
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine;hydrobromide has a molecular weight of 391.42 g/mol, XLogP of 3.14, 8 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]propan-1-amine;hydrobromide is sourced from PubChem (CID 44593288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).