2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C22H24N6O2S — CID 44580067

IUPAC2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1cc(C)c(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1
InChIInChI=1S/C22H24N6O2S/c1-12-9-13(2)26-27-19(12)23-14-5-6-17-16(10-14)28(7-8-30-17)21-24-15-11-22(3,4)25-20(29)18(15)31-21/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,27)(H,25,29)
InChIKeyBMZAQBGIVVRCCG-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.89
Rot. Bonds3

About 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44580067) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44580067
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1cc(C)c(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1
InChIInChI=1S/C22H24N6O2S/c1-12-9-13(2)26-27-19(12)23-14-5-6-17-16(10-14)28(7-8-30-17)21-24-15-11-22(3,4)25-20(29)18(15)31-21/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,27)(H,25,29)
InChIKeyBMZAQBGIVVRCCG-UHFFFAOYSA-N
XLogP3.89
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44580067) is 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cc1cc(C)c(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1.
What is the InChIKey of 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is BMZAQBGIVVRCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-12-9-13(2)26-27-19(12)23-14-5-6-17-16(10-14)28(7-8-30-17)21-24-15-11-22(3,4)25-20(29)18(15)31-21/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,27)(H,25,29).
What are the key properties of 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 436.54 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 44580067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).