5-(2-tert-butyloxan-2-yl)-1,3-thiazole

C12H19NOS — CID 172705526

IUPAC5-(2-tert-butyloxan-2-yl)-1,3-thiazole
SMILESCC(C)(C)C1(c2cncs2)CCCCO1
InChIInChI=1S/C12H19NOS/c1-11(2,3)12(6-4-5-7-14-12)10-8-13-9-15-10/h8-9H,4-7H2,1-3H3
InChIKeyDNMVYGLKDRURLC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.59
Rot. Bonds1

About 5-(2-tert-butyloxan-2-yl)-1,3-thiazole

5-(2-tert-butyloxan-2-yl)-1,3-thiazole (PubChem CID 172705526) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-(2-tert-butyloxan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-tert-butyloxan-2-yl)-1,3-thiazole
PubChem CID172705526
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name5-(2-tert-butyloxan-2-yl)-1,3-thiazole
SMILESCC(C)(C)C1(c2cncs2)CCCCO1
InChIInChI=1S/C12H19NOS/c1-11(2,3)12(6-4-5-7-14-12)10-8-13-9-15-10/h8-9H,4-7H2,1-3H3
InChIKeyDNMVYGLKDRURLC-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyloxan-2-yl)-1,3-thiazole?
The IUPAC name of 5-(2-tert-butyloxan-2-yl)-1,3-thiazole (CID 172705526) is 5-(2-tert-butyloxan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2-tert-butyloxan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(2-tert-butyloxan-2-yl)-1,3-thiazole is CC(C)(C)C1(c2cncs2)CCCCO1.
What is the InChIKey of 5-(2-tert-butyloxan-2-yl)-1,3-thiazole?
The InChIKey is DNMVYGLKDRURLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11(2,3)12(6-4-5-7-14-12)10-8-13-9-15-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(2-tert-butyloxan-2-yl)-1,3-thiazole?
5-(2-tert-butyloxan-2-yl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyloxan-2-yl)-1,3-thiazole is sourced from PubChem (CID 172705526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).