5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide

C9H15ClN4O2S — CID 80617837

IUPAC5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H15ClN4O2S/c1-14(5-6-16-2)4-3-11-7(15)8-12-13-9(10)17-8/h3-6H2,1-2H3,(H,11,15)
InChIKeyHLTVEKLIRIDKKT-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.50
Rot. Bonds7

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

5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617837) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617837
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.76 g/mol
Exact Mass278.06
IUPAC Name5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C)CCNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H15ClN4O2S/c1-14(5-6-16-2)4-3-11-7(15)8-12-13-9(10)17-8/h3-6H2,1-2H3,(H,11,15)
InChIKeyHLTVEKLIRIDKKT-UHFFFAOYSA-N
XLogP0.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617837) is 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide is COCCN(C)CCNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HLTVEKLIRIDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-14(5-6-16-2)4-3-11-7(15)8-12-13-9(10)17-8/h3-6H2,1-2H3,(H,11,15).
What are the key properties of 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 278.76 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).