N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine

C23H20N2O2S — CID 72706434

IUPACN-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Oc3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-19-14-12-17(13-15-19)16-24-23-25-21(18-8-4-2-5-9-18)22(28-23)27-20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChIKeyIIPPPIVJUOYPGQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.22
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine

N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine (PubChem CID 72706434) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
PubChem CID72706434
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(-c3ccccc3)c(Oc3ccccc3)s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-26-19-14-12-17(13-15-19)16-24-23-25-21(18-8-4-2-5-9-18)22(28-23)27-20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25)
InChIKeyIIPPPIVJUOYPGQ-UHFFFAOYSA-N
XLogP6.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]-4-phenyl-1,3-thiazol-5-yl]methyl]benzonitrile
CID 72706185
2-[4-[2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazol-4-yl]phenyl]acetic acid
CID 58791712
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 3054245
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
methyl 2-[(4-methoxyphenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423142
N-[(4-fluorophenyl)methyl]-4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)oxy]pyridin-2-amine
CID 169196524
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine (CID 72706434) is N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine is COc1ccc(CNc2nc(-c3ccccc3)c(Oc3ccccc3)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is IIPPPIVJUOYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-26-19-14-12-17(13-15-19)16-24-23-25-21(18-8-4-2-5-9-18)22(28-23)27-20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine?
N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 388.49 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-phenoxy-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72706434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).