2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole

C13H21NO2S — CID 116782769

IUPAC2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C2(OCC)CCOCC2)n1
InChIInChI=1S/C13H21NO2S/c1-3-5-11-10-17-12(14-11)13(16-4-2)6-8-15-9-7-13/h10H,3-9H2,1-2H3
InChIKeyHJQBNIULBZMNPW-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole

2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole (PubChem CID 116782769) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
PubChem CID116782769
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
SMILESCCCc1csc(C2(OCC)CCOCC2)n1
InChIInChI=1S/C13H21NO2S/c1-3-5-11-10-17-12(14-11)13(16-4-2)6-8-15-9-7-13/h10H,3-9H2,1-2H3
InChIKeyHJQBNIULBZMNPW-UHFFFAOYSA-N
XLogP3.14
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole (CID 116782769) is 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole is CCCc1csc(C2(OCC)CCOCC2)n1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole?
The InChIKey is HJQBNIULBZMNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-5-11-10-17-12(14-11)13(16-4-2)6-8-15-9-7-13/h10H,3-9H2,1-2H3.
What are the key properties of 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole?
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole has a molecular weight of 255.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole is sourced from PubChem (CID 116782769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).