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

C22H22N4O2S — CID 44577639

IUPAC6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1
InChIInChI=1S/C22H22N4O2S/c1-13-4-5-15(12-23-13)14-6-7-18-17(10-14)26(8-9-28-18)21-24-16-11-22(2,3)25-20(27)19(16)29-21/h4-7,10,12H,8-9,11H2,1-3H3,(H,25,27)
InChIKeyMQJXZZFGKUKOGM-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.11
Rot. Bonds2

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

6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44577639) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44577639
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1
InChIInChI=1S/C22H22N4O2S/c1-13-4-5-15(12-23-13)14-6-7-18-17(10-14)26(8-9-28-18)21-24-16-11-22(2,3)25-20(27)19(16)29-21/h4-7,10,12H,8-9,11H2,1-3H3,(H,25,27)
InChIKeyMQJXZZFGKUKOGM-UHFFFAOYSA-N
XLogP4.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-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 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44577639) is 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1.
What is the InChIKey of 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is MQJXZZFGKUKOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-13-4-5-15(12-23-13)14-6-7-18-17(10-14)26(8-9-28-18)21-24-16-11-22(2,3)25-20(27)19(16)29-21/h4-7,10,12H,8-9,11H2,1-3H3,(H,25,27).
What are the key properties of 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 406.51 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[6-(6-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 44577639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).