2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole

C7H9NOS — CID 130251140

IUPAC2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole
SMILESCc1nc2c(o1)CCCS2
InChIInChI=1S/C7H9NOS/c1-5-8-7-6(9-5)3-2-4-10-7/h2-4H2,1H3
InChIKeyCUKRXTUANUTFSZ-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.02
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole

2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole (PubChem CID 130251140) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole
PubChem CID130251140
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole
SMILESCc1nc2c(o1)CCCS2
InChIInChI=1S/C7H9NOS/c1-5-8-7-6(9-5)3-2-4-10-7/h2-4H2,1H3
InChIKeyCUKRXTUANUTFSZ-UHFFFAOYSA-N
XLogP2.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole?
The IUPAC name of 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole (CID 130251140) is 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole is Cc1nc2c(o1)CCCS2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole?
The InChIKey is CUKRXTUANUTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5-8-7-6(9-5)3-2-4-10-7/h2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole?
2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole has a molecular weight of 155.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole is sourced from PubChem (CID 130251140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).