3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H12N2O2S — CID 2679292

IUPAC3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyPAGPVSQZNPBQLP-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds3

About 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2679292) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2679292
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyPAGPVSQZNPBQLP-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2679292) is 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is PAGPVSQZNPBQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-7-17-12(13-8)14-11(15)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 248.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2679292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).