4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C29H32N2O5S — CID 167465417

IUPAC4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCCOc3cccc(OC)c3)cs2)c1
InChIInChI=1S/C29H32N2O5S/c1-32-25-9-4-7-22(15-25)18-31(19-23-8-5-10-26(16-23)33-2)29-30-24(21-37-29)20-35-13-14-36-28-12-6-11-27(17-28)34-3/h4-12,15-17,21H,13-14,18-20H2,1-3H3
InChIKeyKGCMXWRMVSUFHV-UHFFFAOYSA-N
MW520.65 g/mol
LogP5.97
Rot. Bonds14

About 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine

4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 167465417) has the molecular formula C29H32N2O5S and a molecular weight of 520.65 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID167465417
Molecular FormulaC29H32N2O5S
Molecular Weight520.65 g/mol
Exact Mass520.20
IUPAC Name4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCCOc3cccc(OC)c3)cs2)c1
InChIInChI=1S/C29H32N2O5S/c1-32-25-9-4-7-22(15-25)18-31(19-23-8-5-10-26(16-23)33-2)29-30-24(21-37-29)20-35-13-14-36-28-12-6-11-27(17-28)34-3/h4-12,15-17,21H,13-14,18-20H2,1-3H3
InChIKeyKGCMXWRMVSUFHV-UHFFFAOYSA-N
XLogP5.97
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465397
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxymethyl]-1,3-thiazol-2-amine
CID 167465887
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465485
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine
CID 167465716
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-4-amine
CID 167466330
5-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-N,N-bis[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 167465337
4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-amine
CID 167465863
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 167466346
3-[[4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(3-methoxyphenyl)methyl]anilino]methyl]-N,N-dimethylaniline
CID 167466319
4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 175547273

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 167465417) is 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCCOc3cccc(OC)c3)cs2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KGCMXWRMVSUFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5S/c1-32-25-9-4-7-22(15-25)18-31(19-23-8-5-10-26(16-23)33-2)29-30-24(21-37-29)20-35-13-14-36-28-12-6-11-27(17-28)34-3/h4-12,15-17,21H,13-14,18-20H2,1-3H3.
What are the key properties of 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 520.65 g/mol, XLogP of 5.97, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 167465417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).