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

C18H16ClN3O3S — CID 35345237

IUPAC3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H16ClN3O3S/c1-3-25-14-8-7-11(10-15(14)24-2)16-20-18(26-22-16)21-17(23)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,20,21,22,23)
InChIKeyAOHZQYBNWBUBNR-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.52
Rot. Bonds6

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

3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 35345237) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID35345237
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC
InChIInChI=1S/C18H16ClN3O3S/c1-3-25-14-8-7-11(10-15(14)24-2)16-20-18(26-22-16)21-17(23)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,20,21,22,23)
InChIKeyAOHZQYBNWBUBNR-UHFFFAOYSA-N
XLogP4.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 35345237) is 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is CCOc1ccc(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)cc1OC.
What is the InChIKey of 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is AOHZQYBNWBUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-3-25-14-8-7-11(10-15(14)24-2)16-20-18(26-22-16)21-17(23)12-5-4-6-13(19)9-12/h4-10H,3H2,1-2H3,(H,20,21,22,23).
What are the key properties of 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 389.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 35345237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).