3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole

C6H6N2OS — CID 174317002

IUPAC3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole
SMILESC1=CSC(c2ccon2)N1
InChIInChI=1S/C6H6N2OS/c1-3-9-8-5(1)6-7-2-4-10-6/h1-4,6-7H
InChIKeyYXSWRTXVCYOONP-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.48
Rot. Bonds1

About 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole

3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 174317002) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID174317002
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole
SMILESC1=CSC(c2ccon2)N1
InChIInChI=1S/C6H6N2OS/c1-3-9-8-5(1)6-7-2-4-10-6/h1-4,6-7H
InChIKeyYXSWRTXVCYOONP-UHFFFAOYSA-N
XLogP1.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole (CID 174317002) is 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole is C1=CSC(c2ccon2)N1.
What is the InChIKey of 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is YXSWRTXVCYOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c1-3-9-8-5(1)6-7-2-4-10-6/h1-4,6-7H.
What are the key properties of 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole?
3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 154.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 174317002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).