3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide

C18H23Cl2N3O2S — CID 18848842

IUPAC3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1Cl
InChIInChI=1S/C18H23Cl2N3O2S/c1-4-5-6-7-25-16-13(19)9-12(10-14(16)20)17(24)21-18-23-22-15(26-18)8-11(2)3/h9-11H,4-8H2,1-3H3,(H,21,23,24)
InChIKeyUXXSYKNEAVJIDL-UHFFFAOYSA-N
MW416.37 g/mol
LogP5.86
Rot. Bonds9

About 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide

3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide (PubChem CID 18848842) has the molecular formula C18H23Cl2N3O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
PubChem CID18848842
Molecular FormulaC18H23Cl2N3O2S
Molecular Weight416.37 g/mol
Exact Mass415.09
IUPAC Name3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1Cl
InChIInChI=1S/C18H23Cl2N3O2S/c1-4-5-6-7-25-16-13(19)9-12(10-14(16)20)17(24)21-18-23-22-15(26-18)8-11(2)3/h9-11H,4-8H2,1-3H3,(H,21,23,24)
InChIKeyUXXSYKNEAVJIDL-UHFFFAOYSA-N
XLogP5.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18848765
3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18848688
3,5-dichloro-4-hexoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18848963
3,5-dichloro-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide
CID 18864880
3,5-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propoxybenzamide
CID 18864985
3,5-dichloro-4-heptoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18854102
3,5-dichloro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
CID 18864726
3,5-dichloro-4-heptoxy-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18864959
2-chloro-6-hydrazinyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 106262288
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide (CID 18848842) is 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2nnc(CC(C)C)s2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide?
The InChIKey is UXXSYKNEAVJIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2S/c1-4-5-6-7-25-16-13(19)9-12(10-14(16)20)17(24)21-18-23-22-15(26-18)8-11(2)3/h9-11H,4-8H2,1-3H3,(H,21,23,24).
What are the key properties of 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide?
3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide has a molecular weight of 416.37 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide is sourced from PubChem (CID 18848842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).