4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine

C22H29N7O2S — CID 170775558

IUPAC4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(CN3CCN(c4nc(C)nc(N(C)C)n4)CC3)cs2)cc1OC
InChIInChI=1S/C22H29N7O2S/c1-15-23-21(27(2)3)26-22(24-15)29-10-8-28(9-11-29)13-17-14-32-20(25-17)16-6-7-18(30-4)19(12-16)31-5/h6-7,12,14H,8-11,13H2,1-5H3
InChIKeyCAQIOXXKENUFRB-UHFFFAOYSA-N
MW455.59 g/mol
LogP2.71
Rot. Bonds7

About 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine

4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine (PubChem CID 170775558) has the molecular formula C22H29N7O2S and a molecular weight of 455.59 g/mol. Its IUPAC name is 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine
PubChem CID170775558
Molecular FormulaC22H29N7O2S
Molecular Weight455.59 g/mol
Exact Mass455.21
IUPAC Name4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(CN3CCN(c4nc(C)nc(N(C)C)n4)CC3)cs2)cc1OC
InChIInChI=1S/C22H29N7O2S/c1-15-23-21(27(2)3)26-22(24-15)29-10-8-28(9-11-29)13-17-14-32-20(25-17)16-6-7-18(30-4)19(12-16)31-5/h6-7,12,14H,8-11,13H2,1-5H3
InChIKeyCAQIOXXKENUFRB-UHFFFAOYSA-N
XLogP2.71
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 142201325
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
4-[4-[[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 86959514
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
2-[[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 30725962
4-[[4-(2-methoxy-6-methylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809759
4-[[4-(4-fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809761

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine (CID 170775558) is 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine is COc1ccc(-c2nc(CN3CCN(c4nc(C)nc(N(C)C)n4)CC3)cs2)cc1OC.
What is the InChIKey of 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The InChIKey is CAQIOXXKENUFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2S/c1-15-23-21(27(2)3)26-22(24-15)29-10-8-28(9-11-29)13-17-14-32-20(25-17)16-6-7-18(30-4)19(12-16)31-5/h6-7,12,14H,8-11,13H2,1-5H3.
What are the key properties of 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine?
4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine has a molecular weight of 455.59 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-N,N,6-trimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 170775558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).