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

C19H19N5O2S — CID 44577921

IUPAC6,6-dimethyl-2-[6-(1H-pyrazol-5-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(-c5ccn[nH]5)cc43)sc2C(=O)N1
InChIInChI=1S/C19H19N5O2S/c1-19(2)10-13-16(17(25)22-19)27-18(21-13)24-7-8-26-15-4-3-11(9-14(15)24)12-5-6-20-23-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,22,25)
InChIKeyXBYNTSRJEKQLDL-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.13
Rot. Bonds2

About 6,6-dimethyl-2-[6-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 44577921) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 6,6-dimethyl-2-[6-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID44577921
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name6,6-dimethyl-2-[6-(1H-pyrazol-5-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(-c5ccn[nH]5)cc43)sc2C(=O)N1
InChIInChI=1S/C19H19N5O2S/c1-19(2)10-13-16(17(25)22-19)27-18(21-13)24-7-8-26-15-4-3-11(9-14(15)24)12-5-6-20-23-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,22,25)
InChIKeyXBYNTSRJEKQLDL-UHFFFAOYSA-N
XLogP3.13
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-2-[6-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 44577921) is 6,6-dimethyl-2-[6-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-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(-c5ccn[nH]5)cc43)sc2C(=O)N1.
What is the InChIKey of 6,6-dimethyl-2-[6-(1H-pyrazol-5-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is XBYNTSRJEKQLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-19(2)10-13-16(17(25)22-19)27-18(21-13)24-7-8-26-15-4-3-11(9-14(15)24)12-5-6-20-23-12/h3-6,9H,7-8,10H2,1-2H3,(H,20,23)(H,22,25).
What are the key properties of 6,6-dimethyl-2-[6-(1H-pyrazol-5-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-(1H-pyrazol-5-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 381.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-[6-(1H-pyrazol-5-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 44577921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).