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

C22H29N5O2S — CID 67186645

IUPAC6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1CCC(N(C)c2ccc3c(c2)OCCN3c2nc3c(s2)C(=O)NC(C)(C)C3)C1
InChIInChI=1S/C22H29N5O2S/c1-22(2)12-16-19(20(28)24-22)30-21(23-16)27-9-10-29-18-11-14(5-6-17(18)27)26(4)15-7-8-25(3)13-15/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,24,28)
InChIKeyZTIYCDAGDFAAGJ-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.88
Rot. Bonds3

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

6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 67186645) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID67186645
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1CCC(N(C)c2ccc3c(c2)OCCN3c2nc3c(s2)C(=O)NC(C)(C)C3)C1
InChIInChI=1S/C22H29N5O2S/c1-22(2)12-16-19(20(28)24-22)30-21(23-16)27-9-10-29-18-11-14(5-6-17(18)27)26(4)15-7-8-25(3)13-15/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,24,28)
InChIKeyZTIYCDAGDFAAGJ-UHFFFAOYSA-N
XLogP2.88
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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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Related Compounds

6,6-dimethyl-2-[7-[methyl(2-pyrrolidin-1-ylethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67186594
2-(6-cyclopropyl-2,3-dihydro-1,4-benzoxazin-4-yl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 44577917
6,6-dimethyl-2-(6-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 58441778
6,6-dimethyl-2-[6-(1H-pyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 44593631
2-[6-(4-fluoroanilino)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67184965
2-[6-[3-(4-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67187108
7,7-dimethyl-2-(7-nitro-2,3-dihydro-1,4-benzoxazin-4-yl)-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
CID 66648556
6,6-dimethyl-2-[6-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 44580274
2-[6-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67188143
6,6-dimethyl-2-[6-[(3-methylimidazol-4-yl)methylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67189411
6,6-dimethyl-2-[6-(4-pyridin-2-ylpiperazin-1-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67187561
2-[6-(2,3-dihydroxypropylamino)-2,3-dihydro-1,4-benzoxazin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 67185888

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 67186645) is 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CN1CCC(N(C)c2ccc3c(c2)OCCN3c2nc3c(s2)C(=O)NC(C)(C)C3)C1.
What is the InChIKey of 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is ZTIYCDAGDFAAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-22(2)12-16-19(20(28)24-22)30-21(23-16)27-9-10-29-18-11-14(5-6-17(18)27)26(4)15-7-8-25(3)13-15/h5-6,11,15H,7-10,12-13H2,1-4H3,(H,24,28).
What are the key properties of 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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 427.57 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[7-[methyl-(1-methylpyrrolidin-3-yl)amino]-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 67186645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).