5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole

C7H6N2OS — CID 91399276

IUPAC5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nccs2)no1
InChIInChI=1S/C7H6N2OS/c1-5-4-6(9-10-5)7-8-2-3-11-7/h2-4H,1H3
InChIKeyXAEZVBCTYVVYGW-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.11
Rot. Bonds1

About 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole

5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole (PubChem CID 91399276) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole
PubChem CID91399276
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nccs2)no1
InChIInChI=1S/C7H6N2OS/c1-5-4-6(9-10-5)7-8-2-3-11-7/h2-4H,1H3
InChIKeyXAEZVBCTYVVYGW-UHFFFAOYSA-N
XLogP2.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole (CID 91399276) is 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole is Cc1cc(-c2nccs2)no1.
What is the InChIKey of 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
The InChIKey is XAEZVBCTYVVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-5-4-6(9-10-5)7-8-2-3-11-7/h2-4H,1H3.
What are the key properties of 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole?
5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole has a molecular weight of 166.20 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,3-thiazol-2-yl)-1,2-oxazole is sourced from PubChem (CID 91399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).