N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide

C16H18N4O4S — CID 21249132

IUPACN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2CS(=O)CC(=O)N2)cc1
InChIInChI=1S/C16H18N4O4S/c1-9-6-13(21)19-20-15(9)10-2-4-11(5-3-10)17-16(23)12-7-25(24)8-14(22)18-12/h2-5,9,12H,6-8H2,1H3,(H,17,23)(H,18,22)(H,19,21)
InChIKeyRFEMKDSBTXRHCR-UHFFFAOYSA-N
MW362.41 g/mol
LogP-0.27
Rot. Bonds3

About N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide

N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide (PubChem CID 21249132) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide
PubChem CID21249132
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2CS(=O)CC(=O)N2)cc1
InChIInChI=1S/C16H18N4O4S/c1-9-6-13(21)19-20-15(9)10-2-4-11(5-3-10)17-16(23)12-7-25(24)8-14(22)18-12/h2-5,9,12H,6-8H2,1H3,(H,17,23)(H,18,22)(H,19,21)
InChIKeyRFEMKDSBTXRHCR-UHFFFAOYSA-N
XLogP-0.27
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide?
The IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide (CID 21249132) is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide?
The canonical SMILES for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide is CC1CC(=O)NN=C1c1ccc(NC(=O)C2CS(=O)CC(=O)N2)cc1.
What is the InChIKey of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide?
The InChIKey is RFEMKDSBTXRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-9-6-13(21)19-20-15(9)10-2-4-11(5-3-10)17-16(23)12-7-25(24)8-14(22)18-12/h2-5,9,12H,6-8H2,1H3,(H,17,23)(H,18,22)(H,19,21).
What are the key properties of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide?
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide is sourced from PubChem (CID 21249132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).