4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole

C13H21NOS — CID 169110145

IUPAC4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole
SMILESCCc1nc(C2CCOCC2)sc1C(C)C
InChIInChI=1S/C13H21NOS/c1-4-11-12(9(2)3)16-13(14-11)10-5-7-15-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCKKXKLLFNXHKSJ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.72
Rot. Bonds3

About 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole

4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole (PubChem CID 169110145) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole
PubChem CID169110145
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole
SMILESCCc1nc(C2CCOCC2)sc1C(C)C
InChIInChI=1S/C13H21NOS/c1-4-11-12(9(2)3)16-13(14-11)10-5-7-15-8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyCKKXKLLFNXHKSJ-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole (CID 169110145) is 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole is CCc1nc(C2CCOCC2)sc1C(C)C.
What is the InChIKey of 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is CKKXKLLFNXHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11-12(9(2)3)16-13(14-11)10-5-7-15-8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole?
4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 239.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(oxan-4-yl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 169110145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).