5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C8H12ClN3O2S — CID 80617831

IUPAC5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCC(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S/c1-3-14-4-5(2)10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyQFPXYGQWOHBRGZ-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.35
Rot. Bonds5

About 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617831) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617831
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCC(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H12ClN3O2S/c1-3-14-4-5(2)10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyQFPXYGQWOHBRGZ-UHFFFAOYSA-N
XLogP1.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617831) is 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CCOCC(C)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QFPXYGQWOHBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-3-14-4-5(2)10-6(13)7-11-12-8(9)15-7/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 249.72 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).