5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole

C16H16N2OS2 — CID 91031973

IUPAC5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole
SMILESCCc1cnc(C(C)Sc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS2/c1-3-13-9-17-15(19-13)11(2)20-14-10-18-16(21-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyWRCCLQJCGOORBD-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.21
Rot. Bonds5

About 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole

5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole (PubChem CID 91031973) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole
PubChem CID91031973
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole
SMILESCCc1cnc(C(C)Sc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS2/c1-3-13-9-17-15(19-13)11(2)20-14-10-18-16(21-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyWRCCLQJCGOORBD-UHFFFAOYSA-N
XLogP5.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole?
The IUPAC name of 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole (CID 91031973) is 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole is CCc1cnc(C(C)Sc2cnc(-c3ccccc3)s2)o1.
What is the InChIKey of 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole?
The InChIKey is WRCCLQJCGOORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-3-13-9-17-15(19-13)11(2)20-14-10-18-16(21-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole?
5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole has a molecular weight of 316.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]ethyl]-1,3-oxazole is sourced from PubChem (CID 91031973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).