2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide

C12H14ClN3OS — CID 57093182

IUPAC2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
SMILESCCC1NN=C(NC(=O)Cc2ccccc2Cl)S1
InChIInChI=1S/C12H14ClN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-5-3-4-6-9(8)13/h3-6,11,15H,2,7H2,1H3,(H,14,16,17)
InChIKeyRQAYUULRUSOVFF-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.34
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide

2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide (PubChem CID 57093182) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
PubChem CID57093182
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
SMILESCCC1NN=C(NC(=O)Cc2ccccc2Cl)S1
InChIInChI=1S/C12H14ClN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-5-3-4-6-9(8)13/h3-6,11,15H,2,7H2,1H3,(H,14,16,17)
InChIKeyRQAYUULRUSOVFF-UHFFFAOYSA-N
XLogP2.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide (CID 57093182) is 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide is CCC1NN=C(NC(=O)Cc2ccccc2Cl)S1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
The InChIKey is RQAYUULRUSOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-2-11-15-16-12(18-11)14-10(17)7-8-5-3-4-6-9(8)13/h3-6,11,15H,2,7H2,1H3,(H,14,16,17).
What are the key properties of 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide?
2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide has a molecular weight of 283.78 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-ethyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 57093182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).