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

C25H31N3O3S — CID 167465334

IUPACN,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(CCN3CCOCC3)cs2)c1
InChIInChI=1S/C25H31N3O3S/c1-29-23-7-3-5-20(15-23)17-28(18-21-6-4-8-24(16-21)30-2)25-26-22(19-32-25)9-10-27-11-13-31-14-12-27/h3-8,15-16,19H,9-14,17-18H2,1-2H3
InChIKeyJBXQPEOHJZTCNJ-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.24
Rot. Bonds10

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

N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (PubChem CID 167465334) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
PubChem CID167465334
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)c2nc(CCN3CCOCC3)cs2)c1
InChIInChI=1S/C25H31N3O3S/c1-29-23-7-3-5-20(15-23)17-28(18-21-6-4-8-24(16-21)30-2)25-26-22(19-32-25)9-10-27-11-13-31-14-12-27/h3-8,15-16,19H,9-14,17-18H2,1-2H3
InChIKeyJBXQPEOHJZTCNJ-UHFFFAOYSA-N
XLogP4.24
TPSA47.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine
CID 167466276
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)ethoxymethyl]-1,3-thiazol-2-amine
CID 167465485
N,N-bis[(3-methoxyphenyl)methyl]-4-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxymethyl]-1,3-thiazol-2-amine
CID 167465887
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3-oxazol-2-amine
CID 167466202
N,N-bis[(3-methoxyphenyl)methyl]-4-(oxetan-3-ylmethoxymethyl)-1,3-thiazol-2-amine
CID 167465716
4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 175547273
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
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
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine (CID 167465334) is N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is COc1cccc(CN(Cc2cccc(OC)c2)c2nc(CCN3CCOCC3)cs2)c1.
What is the InChIKey of N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is JBXQPEOHJZTCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-29-23-7-3-5-20(15-23)17-28(18-21-6-4-8-24(16-21)30-2)25-26-22(19-32-25)9-10-27-11-13-31-14-12-27/h3-8,15-16,19H,9-14,17-18H2,1-2H3.
What are the key properties of N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine?
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 453.61 g/mol, XLogP of 4.24, 10 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-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167465334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).