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

C22H27N4OS+ — CID 8725773

IUPACN-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4C)CC3)cs2)cc1
InChIInChI=1S/C22H26N4OS/c1-17-5-3-4-6-21(17)26-13-11-25(12-14-26)15-19-16-28-22(24-19)23-18-7-9-20(27-2)10-8-18/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1
InChIKeySOFKWAQNQVMDHC-UHFFFAOYSA-O
MW395.55 g/mol
LogP3.11
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 8725773) has the molecular formula C22H27N4OS+ and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID8725773
Molecular FormulaC22H27N4OS+
Molecular Weight395.55 g/mol
Exact Mass395.19
IUPAC NameN-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4C)CC3)cs2)cc1
InChIInChI=1S/C22H26N4OS/c1-17-5-3-4-6-21(17)26-13-11-25(12-14-26)15-19-16-28-22(24-19)23-18-7-9-20(27-2)10-8-18/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1
InChIKeySOFKWAQNQVMDHC-UHFFFAOYSA-O
XLogP3.11
TPSA41.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8687300
N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8591008
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
CID 6938160
1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 6983170
2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
4-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-2-one
CID 8592081
1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
CID 6944083
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 18775053
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
1-[(3,5-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
CID 6940677
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine (CID 8725773) is N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine is COc1ccc(Nc2nc(C[NH+]3CCN(c4ccccc4C)CC3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is SOFKWAQNQVMDHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4OS/c1-17-5-3-4-6-21(17)26-13-11-25(12-14-26)15-19-16-28-22(24-19)23-18-7-9-20(27-2)10-8-18/h3-10,16H,11-15H2,1-2H3,(H,23,24)/p+1.
What are the key properties of N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 395.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 8725773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).