2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole

C8H11NO2S — CID 153359508

IUPAC2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)OCOC2
InChIInChI=1S/C8H11NO2S/c1-5(2)7-9-6-3-10-4-11-8(6)12-7/h5H,3-4H2,1-2H3
InChIKeyJJJOVWNZCSDXBE-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.13
Rot. Bonds1

About 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole

2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole (PubChem CID 153359508) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole
PubChem CID153359508
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)OCOC2
InChIInChI=1S/C8H11NO2S/c1-5(2)7-9-6-3-10-4-11-8(6)12-7/h5H,3-4H2,1-2H3
InChIKeyJJJOVWNZCSDXBE-UHFFFAOYSA-N
XLogP2.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole (CID 153359508) is 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole is CC(C)c1nc2c(s1)OCOC2.
What is the InChIKey of 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole?
The InChIKey is JJJOVWNZCSDXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-5(2)7-9-6-3-10-4-11-8(6)12-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole?
2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole has a molecular weight of 185.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7H-[1,3]dioxino[5,4-d][1,3]thiazole is sourced from PubChem (CID 153359508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).