2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole

C10H15NOS — CID 90306900

IUPAC2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C10H15NOS/c1-10(2,3)9-11-7-6-12-5-4-8(7)13-9/h4-6H2,1-3H3
InChIKeyLMCVXJPJEDNRNL-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.51
Rot. Bonds

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

2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (PubChem CID 90306900) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
PubChem CID90306900
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole
SMILESCC(C)(C)c1nc2c(s1)CCOC2
InChIInChI=1S/C10H15NOS/c1-10(2,3)9-11-7-6-12-5-4-8(7)13-9/h4-6H2,1-3H3
InChIKeyLMCVXJPJEDNRNL-UHFFFAOYSA-N
XLogP2.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The IUPAC name of 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole (CID 90306900) is 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The canonical SMILES for 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is CC(C)(C)c1nc2c(s1)CCOC2.
What is the InChIKey of 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
The InChIKey is LMCVXJPJEDNRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)9-11-7-6-12-5-4-8(7)13-9/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole?
2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole has a molecular weight of 197.30 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole is sourced from PubChem (CID 90306900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).