N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

C23H22ClN5O3S — CID 30836842

IUPACN-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O
InChIInChI=1S/C23H22ClN5O3S/c1-14-15(24)7-5-8-16(14)25-18(30)13-29-22(31)20-21(19(27-29)17-9-6-12-32-17)33-23(26-20)28-10-3-2-4-11-28/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,30)
InChIKeyFRAUOKCOSKXQBS-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.70
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (PubChem CID 30836842) has the molecular formula C23H22ClN5O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
PubChem CID30836842
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98 g/mol
Exact Mass483.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O
InChIInChI=1S/C23H22ClN5O3S/c1-14-15(24)7-5-8-16(14)25-18(30)13-29-22(31)20-21(19(27-29)17-9-6-12-32-17)33-23(26-20)28-10-3-2-4-11-28/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,30)
InChIKeyFRAUOKCOSKXQBS-UHFFFAOYSA-N
XLogP4.70
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide (CID 30836842) is N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccco2)c2sc(N3CCCCC3)nc2c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
The InChIKey is FRAUOKCOSKXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3S/c1-14-15(24)7-5-8-16(14)25-18(30)13-29-22(31)20-21(19(27-29)17-9-6-12-32-17)33-23(26-20)28-10-3-2-4-11-28/h5-9,12H,2-4,10-11,13H2,1H3,(H,25,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide has a molecular weight of 483.98 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[7-(furan-2-yl)-4-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide is sourced from PubChem (CID 30836842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).