4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine

C19H20N2O2S — CID 71896302

IUPAC4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
SMILESCc1ccc(-c2nc(CN3CCOC(c4ccccc4)C3)cs2)o1
InChIInChI=1S/C19H20N2O2S/c1-14-7-8-17(23-14)19-20-16(13-24-19)11-21-9-10-22-18(12-21)15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3
InChIKeyTXPHMKKRSCXVGE-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.29
Rot. Bonds4

About 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine

4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine (PubChem CID 71896302) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
PubChem CID71896302
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
SMILESCc1ccc(-c2nc(CN3CCOC(c4ccccc4)C3)cs2)o1
InChIInChI=1S/C19H20N2O2S/c1-14-7-8-17(23-14)19-20-16(13-24-19)11-21-9-10-22-18(12-21)15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3
InChIKeyTXPHMKKRSCXVGE-UHFFFAOYSA-N
XLogP4.29
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine?
The IUPAC name of 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine (CID 71896302) is 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine is Cc1ccc(-c2nc(CN3CCOC(c4ccccc4)C3)cs2)o1.
What is the InChIKey of 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine?
The InChIKey is TXPHMKKRSCXVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-7-8-17(23-14)19-20-16(13-24-19)11-21-9-10-22-18(12-21)15-5-3-2-4-6-15/h2-8,13,18H,9-12H2,1H3.
What are the key properties of 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine?
4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine has a molecular weight of 340.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine is sourced from PubChem (CID 71896302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).