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

C20H21N5O2S — CID 44577950

IUPAC6,6-dimethyl-2-[6-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1ccnc1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2
InChIInChI=1S/C20H21N5O2S/c1-20(2)11-13-16(18(26)23-20)28-19(22-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-7-24(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,23,26)
InChIKeyFUBTZUIWWYCJRU-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.14
Rot. Bonds2

About 6,6-dimethyl-2-[6-(1-methylimidazol-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-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44577950) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 6,6-dimethyl-2-[6-(1-methylimidazol-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-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44577950
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name6,6-dimethyl-2-[6-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1ccnc1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2
InChIInChI=1S/C20H21N5O2S/c1-20(2)11-13-16(18(26)23-20)28-19(22-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-7-24(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,23,26)
InChIKeyFUBTZUIWWYCJRU-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-methylimidazol-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-(1-methylimidazol-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-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44577950) is 6,6-dimethyl-2-[6-(1-methylimidazol-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-(1-methylimidazol-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-(1-methylimidazol-2-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cn1ccnc1-c1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2.
What is the InChIKey of 6,6-dimethyl-2-[6-(1-methylimidazol-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 FUBTZUIWWYCJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-20(2)11-13-16(18(26)23-20)28-19(22-13)25-8-9-27-15-5-4-12(10-14(15)25)17-21-6-7-24(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,23,26).
What are the key properties of 6,6-dimethyl-2-[6-(1-methylimidazol-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-(1-methylimidazol-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 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-methylimidazol-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 44577950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).