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

C20H19N5O2S — CID 44577641

IUPAC6,6-dimethyl-2-(6-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOc4ccc(-c5ncccn5)cc43)sc2C(=O)N1
InChIInChI=1S/C20H19N5O2S/c1-20(2)11-13-16(18(26)24-20)28-19(23-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-3-7-22-17/h3-7,10H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyIXHVRQYFTXKBPO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.20
Rot. Bonds2

About 6,6-dimethyl-2-(6-pyrimidin-2-yl-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-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44577641) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 6,6-dimethyl-2-(6-pyrimidin-2-yl-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-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44577641
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name6,6-dimethyl-2-(6-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOc4ccc(-c5ncccn5)cc43)sc2C(=O)N1
InChIInChI=1S/C20H19N5O2S/c1-20(2)11-13-16(18(26)24-20)28-19(23-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-3-7-22-17/h3-7,10H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyIXHVRQYFTXKBPO-UHFFFAOYSA-N
XLogP3.20
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,6-dimethyl-2-(6-pyrimidin-2-yl-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-pyrimidin-2-yl-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-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44577641) is 6,6-dimethyl-2-(6-pyrimidin-2-yl-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-pyrimidin-2-yl-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-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC1(C)Cc2nc(N3CCOc4ccc(-c5ncccn5)cc43)sc2C(=O)N1.
What is the InChIKey of 6,6-dimethyl-2-(6-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is IXHVRQYFTXKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-20(2)11-13-16(18(26)24-20)28-19(23-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-3-7-22-17/h3-7,10H,8-9,11H2,1-2H3,(H,24,26).
What are the key properties of 6,6-dimethyl-2-(6-pyrimidin-2-yl-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-pyrimidin-2-yl-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 393.47 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(6-pyrimidin-2-yl-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 44577641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).