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

C24H28N2O4S — CID 167465716

IUPACN,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCC3COC3)cs2)c1
InChIInChI=1S/C24H28N2O4S/c1-27-22-7-3-5-18(9-22)11-26(12-19-6-4-8-23(10-19)28-2)24-25-21(17-31-24)16-30-15-20-13-29-14-20/h3-10,17,20H,11-16H2,1-2H3
InChIKeyDRJBGJJWDCUMPA-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.53
Rot. Bonds11

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

N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine (PubChem CID 167465716) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine
PubChem CID167465716
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCC3COC3)cs2)c1
InChIInChI=1S/C24H28N2O4S/c1-27-22-7-3-5-18(9-22)11-26(12-19-6-4-8-23(10-19)28-2)24-25-21(17-31-24)16-30-15-20-13-29-14-20/h3-10,17,20H,11-16H2,1-2H3
InChIKeyDRJBGJJWDCUMPA-UHFFFAOYSA-N
XLogP4.53
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-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

4-[2-(3-methoxyphenoxy)ethoxymethyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465417
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-(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-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxymethyl]-1,3-thiazol-2-amine
CID 167465887
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 167465334
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 175547273
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
CID 141398507
4-[(3-methoxyphenyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 175901797
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine (CID 167465716) is N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2nc(COCC3COC3)cs2)c1.
What is the InChIKey of N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine?
The InChIKey is DRJBGJJWDCUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-27-22-7-3-5-18(9-22)11-26(12-19-6-4-8-23(10-19)28-2)24-25-21(17-31-24)16-30-15-20-13-29-14-20/h3-10,17,20H,11-16H2,1-2H3.
What are the key properties of N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine?
N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine has a molecular weight of 440.57 g/mol, XLogP of 4.53, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).