2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone

C18H19N3O2S — CID 96517769

IUPAC2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
SMILESCc1ccc([C@@H]2CSCCN2C(=O)Cc2[nH]nc3ccccc23)o1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-17(23-12)16-11-24-9-8-21(16)18(22)10-15-13-4-2-3-5-14(13)19-20-15/h2-7,16H,8-11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyBYNWKIRUFVKGIO-INIZCTEOSA-N
MW341.44 g/mol
LogP3.32
Rot. Bonds3

About 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone

2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone (PubChem CID 96517769) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
PubChem CID96517769
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone
SMILESCc1ccc([C@@H]2CSCCN2C(=O)Cc2[nH]nc3ccccc23)o1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-17(23-12)16-11-24-9-8-21(16)18(22)10-15-13-4-2-3-5-14(13)19-20-15/h2-7,16H,8-11H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyBYNWKIRUFVKGIO-INIZCTEOSA-N
XLogP3.32
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-2-(2-nitrophenyl)ethanone
CID 96568702
1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 96517758
(3R)-N-ethyl-3-(5-methylfuran-2-yl)thiomorpholine-4-carboxamide
CID 96517564
1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 52528825
N-[4-[(3S)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 96568744
N-[2-[[3-(5-methylfuran-2-yl)thiomorpholin-4-yl]methyl]phenyl]acetamide
CID 84593620
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 97017462
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 120803044
1-[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2H-indazol-3-yl)ethanone
CID 172897236

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The IUPAC name of 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone (CID 96517769) is 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone is Cc1ccc([C@@H]2CSCCN2C(=O)Cc2[nH]nc3ccccc23)o1.
What is the InChIKey of 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
The InChIKey is BYNWKIRUFVKGIO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-7-17(23-12)16-11-24-9-8-21(16)18(22)10-15-13-4-2-3-5-14(13)19-20-15/h2-7,16H,8-11H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone?
2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone has a molecular weight of 341.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-1-[(3R)-3-(5-methylfuran-2-yl)thiomorpholin-4-yl]ethanone is sourced from PubChem (CID 96517769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).