N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine

C23H20N2OS — CID 171378733

IUPACN-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-26-21-15-9-8-14-20(21)23(18-10-4-2-5-11-18,19-12-6-3-7-13-19)25-22-24-16-17-27-22/h2-17H,1H3,(H,24,25)
InChIKeyGCQOTIKGWPFFLX-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.56
Rot. Bonds6

About N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine

N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine (PubChem CID 171378733) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine
PubChem CID171378733
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2OS/c1-26-21-15-9-8-14-20(21)23(18-10-4-2-5-11-18,19-12-6-3-7-13-19)25-22-24-16-17-27-22/h2-17H,1H3,(H,24,25)
InChIKeyGCQOTIKGWPFFLX-UHFFFAOYSA-N
XLogP5.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine (CID 171378733) is N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine is COc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
The InChIKey is GCQOTIKGWPFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-26-21-15-9-8-14-20(21)23(18-10-4-2-5-11-18,19-12-6-3-7-13-19)25-22-24-16-17-27-22/h2-17H,1H3,(H,24,25).
What are the key properties of N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine?
N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine has a molecular weight of 372.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-diphenylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 171378733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).