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

C13H15N3O4S — CID 750651

IUPAC2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H15N3O4S/c1-18-7-11-15-16-13(21-11)14-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H,14,16,17)
InChIKeyZPMUGCCCARFILG-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.95
Rot. Bonds6

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

2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 750651) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID750651
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1
InChIInChI=1S/C13H15N3O4S/c1-18-7-11-15-16-13(21-11)14-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H,14,16,17)
InChIKeyZPMUGCCCARFILG-UHFFFAOYSA-N
XLogP1.95
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1094111
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
CID 1825741
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 644396
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 745396
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
2,6-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1150758
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 1451418
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
3,4-dimethoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707004
3,4,5-trimethoxy-N-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 118707005
N-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 118707007

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 750651) is 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is COCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1.
What is the InChIKey of 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZPMUGCCCARFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-18-7-11-15-16-13(21-11)14-12(17)9-5-4-8(19-2)6-10(9)20-3/h4-6H,7H2,1-3H3,(H,14,16,17).
What are the key properties of 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 309.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 750651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).