N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine

C22H27N4O2S+ — CID 8687300

IUPACN-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-27-19-9-7-17(8-10-19)23-22-24-18(16-29-22)15-25-11-13-26(14-12-25)20-5-3-4-6-21(20)28-2/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1
InChIKeyYYSQZAGKMAOIDE-UHFFFAOYSA-O
MW411.55 g/mol
LogP2.81
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 8687300) has the molecular formula C22H27N4O2S+ and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID8687300
Molecular FormulaC22H27N4O2S+
Molecular Weight411.55 g/mol
Exact Mass411.18
IUPAC NameN-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cs2)cc1
InChIInChI=1S/C22H26N4O2S/c1-27-19-9-7-17(8-10-19)23-22-24-18(16-29-22)15-25-11-13-26(14-12-25)20-5-3-4-6-21(20)28-2/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1
InChIKeyYYSQZAGKMAOIDE-UHFFFAOYSA-O
XLogP2.81
TPSA51.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8725773
1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
CID 6944083
1-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium
CID 6940058
N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8591008
2-(2-chlorophenyl)-4-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 8703490
1-(2-methoxyphenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium
CID 6928637
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
N-[4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide
CID 7125202
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine (CID 8687300) is N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine is COc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is YYSQZAGKMAOIDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O2S/c1-27-19-9-7-17(8-10-19)23-22-24-18(16-29-22)15-25-11-13-26(14-12-25)20-5-3-4-6-21(20)28-2/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1.
What are the key properties of N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 411.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 8687300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).