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

C13H13N3O2S — CID 2571939

IUPAC3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H13N3O2S/c1-8-7-19-13(14-8)16-12(18)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyLYJSLYCJNPBEJP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.66
Rot. Bonds3

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

3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2571939) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2571939
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H13N3O2S/c1-8-7-19-13(14-8)16-12(18)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,14,16,18)
InChIKeyLYJSLYCJNPBEJP-UHFFFAOYSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2571939) is 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LYJSLYCJNPBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-7-19-13(14-8)16-12(18)10-4-3-5-11(6-10)15-9(2)17/h3-7H,1-2H3,(H,15,17)(H,14,16,18).
What are the key properties of 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2571939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).