N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

C29H39N5O2S — CID 167465265

IUPACN-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCN(C)CC3)c2)c2nc(C)c(CN3CCOCC3)s2)c1
InChIInChI=1S/C29H39N5O2S/c1-23-28(22-32-14-16-36-17-15-32)37-29(30-23)34(21-25-7-5-9-27(19-25)35-3)20-24-6-4-8-26(18-24)33-12-10-31(2)11-13-33/h4-9,18-19H,10-17,20-22H2,1-3H3
InChIKeyXVWQCFSOTAUPKC-UHFFFAOYSA-N
MW521.73 g/mol
LogP4.25
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 167465265) has the molecular formula C29H39N5O2S and a molecular weight of 521.73 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID167465265
Molecular FormulaC29H39N5O2S
Molecular Weight521.73 g/mol
Exact Mass521.28
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(N3CCN(C)CC3)c2)c2nc(C)c(CN3CCOCC3)s2)c1
InChIInChI=1S/C29H39N5O2S/c1-23-28(22-32-14-16-36-17-15-32)37-29(30-23)34(21-25-7-5-9-27(19-25)35-3)20-24-6-4-8-26(18-24)33-12-10-31(2)11-13-33/h4-9,18-19H,10-17,20-22H2,1-3H3
InChIKeyXVWQCFSOTAUPKC-UHFFFAOYSA-N
XLogP4.25
TPSA44.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.73
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methyl-5-(morpholin-4-ylmethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167465940
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466202
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-[(3-morpholin-4-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466247
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)ethoxy]-N-[(3-pyrrolidin-1-ylphenyl)methyl]aniline
CID 167465345
N-[(3-methoxyphenyl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]-4-(piperidin-1-ylmethyl)aniline
CID 167465735
N-[(3-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)aniline
CID 167465773
4-[[4-[(3-methoxyphenyl)methyl-[(3-morpholin-4-ylphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466092
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine (CID 167465265) is N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is COc1cccc(CN(Cc2cccc(N3CCN(C)CC3)c2)c2nc(C)c(CN3CCOCC3)s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is XVWQCFSOTAUPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2S/c1-23-28(22-32-14-16-36-17-15-32)37-29(30-23)34(21-25-7-5-9-27(19-25)35-3)20-24-6-4-8-26(18-24)33-12-10-31(2)11-13-33/h4-9,18-19H,10-17,20-22H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine?
N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 521.73 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167465265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).