N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C12H12ClN3O2S — CID 741607

IUPACN-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17)/t11-/m1/s1
InChIKeyDYTSPVAOPMELKW-LLVKDONJSA-N
MW297.77 g/mol
LogP2.34
Rot. Bonds1

About N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 741607) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID741607
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC NameN-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2)S1
InChIInChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17)/t11-/m1/s1
InChIKeyDYTSPVAOPMELKW-LLVKDONJSA-N
XLogP2.34
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 741607) is N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2)S1.
What is the InChIKey of N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is DYTSPVAOPMELKW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7(17)14-12-15-16(8(2)18)11(19-12)9-3-5-10(13)6-4-9/h3-6,11H,1-2H3,(H,14,15,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 297.77 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-acetyl-2-(4-chlorophenyl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 741607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).