4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

C13H14N4O3S — CID 897457

IUPAC4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-9(4-6-10)12(19)15-13-17-16-11(21-13)7-20-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyMZULQVAQNJHYLL-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.90
Rot. Bonds5

About 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide

4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 897457) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID897457
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1
InChIInChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-9(4-6-10)12(19)15-13-17-16-11(21-13)7-20-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyMZULQVAQNJHYLL-UHFFFAOYSA-N
XLogP1.90
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 897457) is 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is COCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1.
What is the InChIKey of 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is MZULQVAQNJHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-9(4-6-10)12(19)15-13-17-16-11(21-13)7-20-2/h3-6H,7H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 306.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 897457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).