N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C24H22N2OS — CID 72706819

IUPACN,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2OS/c1-27-21-14-12-20(13-15-21)23-22(16-18-8-4-2-5-9-18)28-24(26-23)25-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeyBTXYSTNTYCYLSE-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.02
Rot. Bonds7

About N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 72706819) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID72706819
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NCc3ccccc3)sc2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2OS/c1-27-21-14-12-20(13-15-21)23-22(16-18-8-4-2-5-9-18)28-24(26-23)25-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26)
InChIKeyBTXYSTNTYCYLSE-UHFFFAOYSA-N
XLogP6.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 72706819) is N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NCc3ccccc3)sc2Cc2ccccc2)cc1.
What is the InChIKey of N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is BTXYSTNTYCYLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-27-21-14-12-20(13-15-21)23-22(16-18-8-4-2-5-9-18)28-24(26-23)25-17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,25,26).
What are the key properties of N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 386.52 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dibenzyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72706819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).