(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone

C15H19N3O4S — CID 128996929

IUPAC(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCS(=O)(=O)CC2c2cnn(C)c2)o1
InChIInChI=1S/C15H19N3O4S/c1-3-12-4-5-14(22-12)15(19)18-6-7-23(20,21)10-13(18)11-8-16-17(2)9-11/h4-5,8-9,13H,3,6-7,10H2,1-2H3
InChIKeyOESCBWLFPCKBPJ-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.19
Rot. Bonds3

About (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone

(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone (PubChem CID 128996929) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone.

Molecular Properties

Compound Name(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
PubChem CID128996929
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCS(=O)(=O)CC2c2cnn(C)c2)o1
InChIInChI=1S/C15H19N3O4S/c1-3-12-4-5-14(22-12)15(19)18-6-7-23(20,21)10-13(18)11-8-16-17(2)9-11/h4-5,8-9,13H,3,6-7,10H2,1-2H3
InChIKeyOESCBWLFPCKBPJ-UHFFFAOYSA-N
XLogP1.19
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 53621270
[5-(Diethylaminomethyl)furan-2-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53624758
N-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-sulfonamide
CID 56801184
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CID 56824944
2-[1-(5-Ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393449
[(2R,3R)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
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4-[5-(1-methyl-1H-pyrazol-4-yl)-2-furoyl]morpholine
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N-[[5-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]furan-2-yl]methyl]acetamide
CID 95603452
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-N,5-dimethylpyrazole-4-carboxamide
CID 97311793
[(5S)-5-methyl-1,4-oxazepan-4-yl]-[5-(1-methylpyrazol-4-yl)furan-2-yl]methanone
CID 164641111
1-[3-(5-Methylfuran-2-yl)-1,1-dioxo-1,4-thiazinan-4-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 72109927

Frequently Asked Questions

What is the IUPAC name of (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The IUPAC name of (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone (CID 128996929) is (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone.
What is the SMILES notation for (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The canonical SMILES for (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone is CCc1ccc(C(=O)N2CCS(=O)(=O)CC2c2cnn(C)c2)o1.
What is the InChIKey of (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
The InChIKey is OESCBWLFPCKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-3-12-4-5-14(22-12)15(19)18-6-7-23(20,21)10-13(18)11-8-16-17(2)9-11/h4-5,8-9,13H,3,6-7,10H2,1-2H3.
What are the key properties of (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone?
(5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone has a molecular weight of 337.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylfuran-2-yl)-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone is sourced from PubChem (CID 128996929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).