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

C12H12ClN3O3S — CID 750669

IUPAC5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-6-10-15-16-12(20-10)14-11(17)8-5-7(13)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyGSHUUWHTRPCZPF-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.60
Rot. Bonds5

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

5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 750669) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID750669
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H12ClN3O3S/c1-18-6-10-15-16-12(20-10)14-11(17)8-5-7(13)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,16,17)
InChIKeyGSHUUWHTRPCZPF-UHFFFAOYSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 2201249
2,4-dimethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750651
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
Ethyl (5-{[(2-ethoxyphenyl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
CID 2164999
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 3158217
5-Chloro-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-2-methoxy-benzamide
CID 3158224
2-methoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3999252
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxybenzamide
CID 2576449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 750669) is 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is COCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1.
What is the InChIKey of 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GSHUUWHTRPCZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-18-6-10-15-16-12(20-10)14-11(17)8-5-7(13)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 313.77 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 750669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).