N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

C18H15N5O2S2 — CID 16858133

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc23)no1
InChIInChI=1S/C18H15N5O2S2/c1-10-8-13(23-25-10)20-14(24)9-26-18-16-17(27-11(2)19-16)15(21-22-18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,23,24)
InChIKeyVCLWPCHIHCFFDZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.09
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (PubChem CID 16858133) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
PubChem CID16858133
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc23)no1
InChIInChI=1S/C18H15N5O2S2/c1-10-8-13(23-25-10)20-14(24)9-26-18-16-17(27-11(2)19-16)15(21-22-18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,23,24)
InChIKeyVCLWPCHIHCFFDZ-UHFFFAOYSA-N
XLogP4.09
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide (CID 16858133) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
The InChIKey is VCLWPCHIHCFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-10-8-13(23-25-10)20-14(24)9-26-18-16-17(27-11(2)19-16)15(21-22-18)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,23,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methyl-7-phenyl-[1,3]thiazolo[4,5-d]pyridazin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 16858133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).