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

C18H26N4O2S — CID 71840083

IUPACN-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C18H26N4O2S/c1-11(2)17-20-15-16(25-17)12(3)21-22(18(15)24)10-14(23)19-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,19,23)
InChIKeyTXXYQAJOCJVPST-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.12
Rot. Bonds4

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

N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (PubChem CID 71840083) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
PubChem CID71840083
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
SMILESCc1nn(CC(=O)NC2CCCCCC2)c(=O)c2nc(C(C)C)sc12
InChIInChI=1S/C18H26N4O2S/c1-11(2)17-20-15-16(25-17)12(3)21-22(18(15)24)10-14(23)19-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,19,23)
InChIKeyTXXYQAJOCJVPST-UHFFFAOYSA-N
XLogP3.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide (CID 71840083) is N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is Cc1nn(CC(=O)NC2CCCCCC2)c(=O)c2nc(C(C)C)sc12.
What is the InChIKey of N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
The InChIKey is TXXYQAJOCJVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-11(2)17-20-15-16(25-17)12(3)21-22(18(15)24)10-14(23)19-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,19,23).
What are the key properties of N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide?
N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide has a molecular weight of 362.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide is sourced from PubChem (CID 71840083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).