(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

C18H22N2O2S — CID 97158597

IUPAC(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCC1(C)Cc2cccc(CN3CCO[C@@H](c4nccs4)C3)c2O1
InChIInChI=1S/C18H22N2O2S/c1-18(2)10-13-4-3-5-14(16(13)22-18)11-20-7-8-21-15(12-20)17-19-6-9-23-17/h3-6,9,15H,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyNNKMLWBFBIAFFQ-OAHLLOKOSA-N
MW330.45 g/mol
LogP3.43
Rot. Bonds3

About (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 97158597) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID97158597
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCC1(C)Cc2cccc(CN3CCO[C@@H](c4nccs4)C3)c2O1
InChIInChI=1S/C18H22N2O2S/c1-18(2)10-13-4-3-5-14(16(13)22-18)11-20-7-8-21-15(12-20)17-19-6-9-23-17/h3-6,9,15H,7-8,10-12H2,1-2H3/t15-/m1/s1
InChIKeyNNKMLWBFBIAFFQ-OAHLLOKOSA-N
XLogP3.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine with MolForge

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
(2R)-4-[(6-fluoroquinolin-8-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156923
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115299994
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
1-methyl-6-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3,4-dihydroquinolin-2-one
CID 124619007
(2S)-4-[2-(2-methoxyphenoxy)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 129403722
N-methyl-N-propan-2-yl-5-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]pyridin-2-amine
CID 124739186
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
CID 64509728
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (CID 97158597) is (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is CC1(C)Cc2cccc(CN3CCO[C@@H](c4nccs4)C3)c2O1.
What is the InChIKey of (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is NNKMLWBFBIAFFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-18(2)10-13-4-3-5-14(16(13)22-18)11-20-7-8-21-15(12-20)17-19-6-9-23-17/h3-6,9,15H,7-8,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
(2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 330.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 97158597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).