5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole

C6H3ClN2OS — CID 89221403

IUPAC5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole
SMILESClc1nc(-c2ccno2)cs1
InChIInChI=1S/C6H3ClN2OS/c7-6-9-4(3-11-6)5-1-2-8-10-5/h1-3H
InChIKeyGMFMMQAIRPKRGZ-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.45
Rot. Bonds1

About 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole

5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole (PubChem CID 89221403) has the molecular formula C6H3ClN2OS and a molecular weight of 186.62 g/mol. Its IUPAC name is 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole
PubChem CID89221403
Molecular FormulaC6H3ClN2OS
Molecular Weight186.62 g/mol
Exact Mass185.97
IUPAC Name5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole
SMILESClc1nc(-c2ccno2)cs1
InChIInChI=1S/C6H3ClN2OS/c7-6-9-4(3-11-6)5-1-2-8-10-5/h1-3H
InChIKeyGMFMMQAIRPKRGZ-UHFFFAOYSA-N
XLogP2.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole (CID 89221403) is 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole is Clc1nc(-c2ccno2)cs1.
What is the InChIKey of 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole?
The InChIKey is GMFMMQAIRPKRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2OS/c7-6-9-4(3-11-6)5-1-2-8-10-5/h1-3H.
What are the key properties of 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole?
5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole has a molecular weight of 186.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-1,3-thiazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 89221403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).