(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone

C18H18N2O3S — CID 97485782

IUPAC(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@@H]2COCCN2C(=O)c2oc3ccccc3c2C)cs1
InChIInChI=1S/C18H18N2O3S/c1-11-13-5-3-4-6-16(13)23-17(11)18(21)20-7-8-22-9-15(20)14-10-24-12(2)19-14/h3-6,10,15H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyFISWUDYWECISPZ-HNNXBMFYSA-N
MW342.42 g/mol
LogP3.72
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97485782) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
PubChem CID97485782
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
SMILESCc1nc([C@@H]2COCCN2C(=O)c2oc3ccccc3c2C)cs1
InChIInChI=1S/C18H18N2O3S/c1-11-13-5-3-4-6-16(13)23-17(11)18(21)20-7-8-22-9-15(20)14-10-24-12(2)19-14/h3-6,10,15H,7-9H2,1-2H3/t15-/m0/s1
InChIKeyFISWUDYWECISPZ-HNNXBMFYSA-N
XLogP3.72
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842614
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
CID 97485746
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone (CID 97485782) is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is Cc1nc([C@@H]2COCCN2C(=O)c2oc3ccccc3c2C)cs1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is FISWUDYWECISPZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-13-5-3-4-6-16(13)23-17(11)18(21)20-7-8-22-9-15(20)14-10-24-12(2)19-14/h3-6,10,15H,7-9H2,1-2H3/t15-/m0/s1.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone?
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97485782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).