3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

C9H9N3O2S — CID 2649147

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N3O2S/c1-5-7(6(2)14-12-5)8(13)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,10,11,13)
InChIKeyLKMYCIIGGDYGKC-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.00
Rot. Bonds2

About 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2649147) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID2649147
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H9N3O2S/c1-5-7(6(2)14-12-5)8(13)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,10,11,13)
InChIKeyLKMYCIIGGDYGKC-UHFFFAOYSA-N
XLogP2.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 2649147) is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nccs1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is LKMYCIIGGDYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-7(6(2)14-12-5)8(13)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,10,11,13).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2649147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).