N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine

C22H24N2O2S — CID 133372654

IUPACN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3cccc(COC4CCOCC4)c3)n2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-7-19(8-3-1)21-16-27-22(24-21)23-14-17-5-4-6-18(13-17)15-26-20-9-11-25-12-10-20/h1-8,13,16,20H,9-12,14-15H2,(H,23,24)
InChIKeyHYMLZLWGWGNTPO-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.12
Rot. Bonds7

About N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine

N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133372654) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133372654
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3cccc(COC4CCOCC4)c3)n2)cc1
InChIInChI=1S/C22H24N2O2S/c1-2-7-19(8-3-1)21-16-27-22(24-21)23-14-17-5-4-6-18(13-17)15-26-20-9-11-25-12-10-20/h1-8,13,16,20H,9-12,14-15H2,(H,23,24)
InChIKeyHYMLZLWGWGNTPO-UHFFFAOYSA-N
XLogP5.12
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133372654) is N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(NCc3cccc(COC4CCOCC4)c3)n2)cc1.
What is the InChIKey of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HYMLZLWGWGNTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-2-7-19(8-3-1)21-16-27-22(24-21)23-14-17-5-4-6-18(13-17)15-26-20-9-11-25-12-10-20/h1-8,13,16,20H,9-12,14-15H2,(H,23,24).
What are the key properties of N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 380.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133372654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).