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

C10H11N3O2S2 — CID 902635

IUPACN-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@H](c2cccs2)S1
InChIInChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)/t9-/m1/s1
InChIKeyLMUUFTSLJKNODC-SECBINFHSA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds1

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

N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 902635) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID902635
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCC(=O)NC1=NN(C(C)=O)[C@@H](c2cccs2)S1
InChIInChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)/t9-/m1/s1
InChIKeyLMUUFTSLJKNODC-SECBINFHSA-N
XLogP1.75
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 902635) is N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide is CC(=O)NC1=NN(C(C)=O)[C@@H](c2cccs2)S1.
What is the InChIKey of N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is LMUUFTSLJKNODC-SECBINFHSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6(14)11-10-12-13(7(2)15)9(17-10)8-4-3-5-16-8/h3-5,9H,1-2H3,(H,11,12,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 269.35 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 902635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).