5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C13H14ClN3O3S — CID 3158224

IUPAC5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C13H14ClN3O3S/c1-3-20-7-11-16-17-13(21-11)15-12(18)9-6-8(14)4-5-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyHOIIMWKCKUZIGI-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.99
Rot. Bonds6

About 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 3158224) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID3158224
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C13H14ClN3O3S/c1-3-20-7-11-16-17-13(21-11)15-12(18)9-6-8(14)4-5-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,15,17,18)
InChIKeyHOIIMWKCKUZIGI-UHFFFAOYSA-N
XLogP2.99
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 3158224) is 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is CCOCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1.
What is the InChIKey of 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is HOIIMWKCKUZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-3-20-7-11-16-17-13(21-11)15-12(18)9-6-8(14)4-5-10(9)19-2/h4-6H,3,7H2,1-2H3,(H,15,17,18).
What are the key properties of 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 327.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 3158224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).