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

C14H18N4O3S — CID 53136261

IUPACN-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)NC3CCCC3)c(=O)c21
InChIInChI=1S/C14H18N4O3S/c1-17-12(20)8-22-10-6-15-18(14(21)13(10)17)7-11(19)16-9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyPCEWZSSEIRGENK-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.37
Rot. Bonds3

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

N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (PubChem CID 53136261) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
PubChem CID53136261
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
SMILESCN1C(=O)CSc2cnn(CC(=O)NC3CCCC3)c(=O)c21
InChIInChI=1S/C14H18N4O3S/c1-17-12(20)8-22-10-6-15-18(14(21)13(10)17)7-11(19)16-9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyPCEWZSSEIRGENK-UHFFFAOYSA-N
XLogP0.37
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide (CID 53136261) is N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is CN1C(=O)CSc2cnn(CC(=O)NC3CCCC3)c(=O)c21.
What is the InChIKey of N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
The InChIKey is PCEWZSSEIRGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17-12(20)8-22-10-6-15-18(14(21)13(10)17)7-11(19)16-9-4-2-3-5-9/h6,9H,2-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide?
N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide is sourced from PubChem (CID 53136261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).