N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

C15H20N4O2S — CID 71840145

IUPACN-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NC3CCCC3)nc(C)c2s1
InChIInChI=1S/C15H20N4O2S/c1-3-12-17-13-14(22-12)9(2)18-19(15(13)21)8-11(20)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,20)
InChIKeyXIDRYWKOMXHRIE-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.78
Rot. Bonds4

About N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide

N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840145) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840145
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCCc1nc2c(=O)n(CC(=O)NC3CCCC3)nc(C)c2s1
InChIInChI=1S/C15H20N4O2S/c1-3-12-17-13-14(22-12)9(2)18-19(15(13)21)8-11(20)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,20)
InChIKeyXIDRYWKOMXHRIE-UHFFFAOYSA-N
XLogP1.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840145) is N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is CCc1nc2c(=O)n(CC(=O)NC3CCCC3)nc(C)c2s1.
What is the InChIKey of N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is XIDRYWKOMXHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-12-17-13-14(22-12)9(2)18-19(15(13)21)8-11(20)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,20).
What are the key properties of N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethyl-7-methyl-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).