N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

C22H24N4O3S — CID 121397341

IUPACN-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)nn1
InChIInChI=1S/C22H24N4O3S/c1-14-3-4-18(26-25-14)13-23-21(27)16-9-17(22-24-12-15(2)30-22)11-20(10-16)29-19-5-7-28-8-6-19/h3-4,9-12,19H,5-8,13H2,1-2H3,(H,23,27)
InChIKeyLSYGQIAUTJTZDJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.70
Rot. Bonds6

About N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide

N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (PubChem CID 121397341) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
PubChem CID121397341
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide
SMILESCc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)nn1
InChIInChI=1S/C22H24N4O3S/c1-14-3-4-18(26-25-14)13-23-21(27)16-9-17(22-24-12-15(2)30-22)11-20(10-16)29-19-5-7-28-8-6-19/h3-4,9-12,19H,5-8,13H2,1-2H3,(H,23,27)
InChIKeyLSYGQIAUTJTZDJ-UHFFFAOYSA-N
XLogP3.70
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide (CID 121397341) is N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is Cc1ccc(CNC(=O)c2cc(OC3CCOCC3)cc(-c3ncc(C)s3)c2)nn1.
What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
The InChIKey is LSYGQIAUTJTZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-3-4-18(26-25-14)13-23-21(27)16-9-17(22-24-12-15(2)30-22)11-20(10-16)29-19-5-7-28-8-6-19/h3-4,9-12,19H,5-8,13H2,1-2H3,(H,23,27).
What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide?
N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 121397341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).