(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H18N4O2S — CID 66119062

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCS(=O)CC2)c1N
InChIInChI=1S/C11H18N4O2S/c1-3-8-9(12)10(14(2)13-8)11(16)15-4-6-18(17)7-5-15/h3-7,12H2,1-2H3
InChIKeyIIMNLSCOSSPEMI-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.23
Rot. Bonds2

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 66119062) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID66119062
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESCCc1nn(C)c(C(=O)N2CCS(=O)CC2)c1N
InChIInChI=1S/C11H18N4O2S/c1-3-8-9(12)10(14(2)13-8)11(16)15-4-6-18(17)7-5-15/h3-7,12H2,1-2H3
InChIKeyIIMNLSCOSSPEMI-UHFFFAOYSA-N
XLogP-0.23
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 66119062) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is CCc1nn(C)c(C(=O)N2CCS(=O)CC2)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is IIMNLSCOSSPEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-8-9(12)10(14(2)13-8)11(16)15-4-6-18(17)7-5-15/h3-7,12H2,1-2H3.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 66119062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).