N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

C16H22N4O3S — CID 53136324

IUPACN-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCCN1C(=O)CSc2cnn(CC(=O)NC3CCCCC3)c(=O)c21
InChIInChI=1S/C16H22N4O3S/c1-2-19-14(22)10-24-12-8-17-20(16(23)15(12)19)9-13(21)18-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,18,21)
InChIKeyANFBLKXUWQQDEU-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.15
Rot. Bonds4

About N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136324) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136324
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCCN1C(=O)CSc2cnn(CC(=O)NC3CCCCC3)c(=O)c21
InChIInChI=1S/C16H22N4O3S/c1-2-19-14(22)10-24-12-8-17-20(16(23)15(12)19)9-13(21)18-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,18,21)
InChIKeyANFBLKXUWQQDEU-UHFFFAOYSA-N
XLogP1.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136324) is N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is CCN1C(=O)CSc2cnn(CC(=O)NC3CCCCC3)c(=O)c21.
What is the InChIKey of N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is ANFBLKXUWQQDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-2-19-14(22)10-24-12-8-17-20(16(23)15(12)19)9-13(21)18-11-6-4-3-5-7-11/h8,11H,2-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 350.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).