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

C14H25BrN4OS — CID 44593284

IUPACN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C=O)s2)CC1
InChIInChI=1S/C14H24N4OS.BrH/c1-3-5-17-7-9-18(10-8-17)14-15-11-13(20-14)4-6-16(2)12-19;/h11-12H,3-10H2,1-2H3;1H
InChIKeyGTKLHUZFAJDSOY-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.88
Rot. Bonds7

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

N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide (PubChem CID 44593284) has the molecular formula C14H25BrN4OS and a molecular weight of 377.35 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
PubChem CID44593284
Molecular FormulaC14H25BrN4OS
Molecular Weight377.35 g/mol
Exact Mass376.09
IUPAC NameN-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
SMILESBr.CCCN1CCN(c2ncc(CCN(C)C=O)s2)CC1
InChIInChI=1S/C14H24N4OS.BrH/c1-3-5-17-7-9-18(10-8-17)14-15-11-13(20-14)4-6-16(2)12-19;/h11-12H,3-10H2,1-2H3;1H
InChIKeyGTKLHUZFAJDSOY-UHFFFAOYSA-N
XLogP1.88
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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]formamide;hydrobromide?
The IUPAC name of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide (CID 44593284) is N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide.
What is the SMILES notation for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide?
The canonical SMILES for N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide is Br.CCCN1CCN(c2ncc(CCN(C)C=O)s2)CC1.
What is the InChIKey of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide?
The InChIKey is GTKLHUZFAJDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS.BrH/c1-3-5-17-7-9-18(10-8-17)14-15-11-13(20-14)4-6-16(2)12-19;/h11-12H,3-10H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide?
N-methyl-N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide has a molecular weight of 377.35 g/mol, XLogP of 1.88, 7 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]formamide;hydrobromide is sourced from PubChem (CID 44593284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).