5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

C7H10ClN3O2S — CID 80619142

IUPAC5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C7H10ClN3O2S/c1-11(3-4-13-2)6(12)5-9-10-7(8)14-5/h3-4H2,1-2H3
InChIKeyLIUWGSZYKVCDMN-UHFFFAOYSA-N
MW235.70 g/mol
LogP0.91
Rot. Bonds4

About 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619142) has the molecular formula C7H10ClN3O2S and a molecular weight of 235.70 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619142
Molecular FormulaC7H10ClN3O2S
Molecular Weight235.70 g/mol
Exact Mass235.02
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C7H10ClN3O2S/c1-11(3-4-13-2)6(12)5-9-10-7(8)14-5/h3-4H2,1-2H3
InChIKeyLIUWGSZYKVCDMN-UHFFFAOYSA-N
XLogP0.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80619142) is 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is COCCN(C)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LIUWGSZYKVCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2S/c1-11(3-4-13-2)6(12)5-9-10-7(8)14-5/h3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 235.70 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).