5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride

C8H5ClN2O2S — CID 2776409

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride
SMILESCc1nc(-c2cc(C(=O)Cl)no2)cs1
InChIInChI=1S/C8H5ClN2O2S/c1-4-10-6(3-14-4)7-2-5(8(9)12)11-13-7/h2-3H,1H3
InChIKeyZMLLGBGFTHPMID-UHFFFAOYSA-N
MW228.66 g/mol
LogP2.49
Rot. Bonds2

About 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride

5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride (PubChem CID 2776409) has the molecular formula C8H5ClN2O2S and a molecular weight of 228.66 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride
PubChem CID2776409
Molecular FormulaC8H5ClN2O2S
Molecular Weight228.66 g/mol
Exact Mass227.98
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride
SMILESCc1nc(-c2cc(C(=O)Cl)no2)cs1
InChIInChI=1S/C8H5ClN2O2S/c1-4-10-6(3-14-4)7-2-5(8(9)12)11-13-7/h2-3H,1H3
InChIKeyZMLLGBGFTHPMID-UHFFFAOYSA-N
XLogP2.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride (CID 2776409) is 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride is Cc1nc(-c2cc(C(=O)Cl)no2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride?
The InChIKey is ZMLLGBGFTHPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S/c1-4-10-6(3-14-4)7-2-5(8(9)12)11-13-7/h2-3H,1H3.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride?
5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride has a molecular weight of 228.66 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 2776409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).