2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole

C9H13NOS — CID 122696995

IUPAC2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3
InChIKeyGBIRWQGGUFLGIW-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.34
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole

2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (PubChem CID 122696995) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
PubChem CID122696995
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3
InChIKeyGBIRWQGGUFLGIW-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (CID 122696995) is 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is CC(C)c1nc2c(s1)CCOC2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The InChIKey is GBIRWQGGUFLGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(2)9-10-7-5-11-4-3-8(7)12-9/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole has a molecular weight of 183.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is sourced from PubChem (CID 122696995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).