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

C20H21N5O2S — CID 25052783

IUPAC6,6-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1
InChIInChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
InChIKeyWGINENHXAFXAQX-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.14
Rot. Bonds2

About 6,6-dimethyl-2-[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 25052783) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6,6-dimethyl-2-[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID25052783
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name6,6-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1
InChIInChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26)
InChIKeyWGINENHXAFXAQX-UHFFFAOYSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-(1-(2-hydroxy-2-methylpropyl)-1H-pyrazol-4-yl)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 24855887
6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H-benzo[b][1,4]oxazin-4(3H)-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 25032963
5,5-dimethyl-2-(6-(pyridin-2-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44577592
5,5-dimethyl-2-(6-(pyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44577593
5,5-dimethyl-2-(6-(pyridin-4-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44577638
6,6-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577639
5,5-dimethyl-2-(6-(6-methylpyridin-3-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44577640
6,6-dimethyl-2-(6-(pyrimidin-2-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577641
6,6-dimethyl-2-(6-phenyl-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577916
2-(6-cyclopropyl-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577917
2-(6-(1H-imidazol-5-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-6,6-dimethyl-6,7-dihydrothiazolo[5,4-c]pyridin-4(5H)-one
CID 44577919
2-(6-(1H-pyrazol-4-yl)-2,3-dihydrobenzo[b][1,4]oxazin-4-yl)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
CID 44577920

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 25052783) is 6,6-dimethyl-2-[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)cn1.
What is the InChIKey of 6,6-dimethyl-2-[6-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is WGINENHXAFXAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-20(2)9-14-17(18(26)23-20)28-19(22-14)25-6-7-27-16-5-4-12(8-15(16)25)13-10-21-24(3)11-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,23,26).
What are the key properties of 6,6-dimethyl-2-[6-(1-methylpyrazol-4-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-(1-methylpyrazol-4-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 395.49 g/mol, XLogP of 3.14, 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-(1-methylpyrazol-4-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 25052783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).