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

C20H23N5O3S2 — CID 42099963

IUPACN-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)c2sc(N3CCOCC3)nc2c1=O)NC1CCCC1
InChIInChI=1S/C20H23N5O3S2/c26-15(21-13-4-1-2-5-13)12-25-19(27)17-18(16(23-25)14-6-3-11-29-14)30-20(22-17)24-7-9-28-10-8-24/h3,6,11,13H,1-2,4-5,7-10,12H2,(H,21,26)
InChIKeyYMDJHSPEYFWNIF-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.48
Rot. Bonds5

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

N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 42099963) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID42099963
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC NameN-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)c2sc(N3CCOCC3)nc2c1=O)NC1CCCC1
InChIInChI=1S/C20H23N5O3S2/c26-15(21-13-4-1-2-5-13)12-25-19(27)17-18(16(23-25)14-6-3-11-29-14)30-20(22-17)24-7-9-28-10-8-24/h3,6,11,13H,1-2,4-5,7-10,12H2,(H,21,26)
InChIKeyYMDJHSPEYFWNIF-UHFFFAOYSA-N
XLogP2.48
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 42099963) is N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is O=C(Cn1nc(-c2cccs2)c2sc(N3CCOCC3)nc2c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is YMDJHSPEYFWNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c26-15(21-13-4-1-2-5-13)12-25-19(27)17-18(16(23-25)14-6-3-11-29-14)30-20(22-17)24-7-9-28-10-8-24/h3,6,11,13H,1-2,4-5,7-10,12H2,(H,21,26).
What are the key properties of N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 445.57 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-morpholin-4-yl-4-oxo-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 42099963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).