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

C10H11N3O2S2 — CID 902636

IUPACN-[(2S)-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-/m0/s1
InChIKeyLMUUFTSLJKNODC-VIFPVBQESA-N
MW269.35 g/mol
LogP1.75
Rot. Bonds1

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

N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 902636) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID902636
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-[(2S)-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-/m0/s1
InChIKeyLMUUFTSLJKNODC-VIFPVBQESA-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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Related Compounds

N-(4-Acetyl-5-methyl-5-thiophen-2-yl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-acetamide
CID 2916332
N-[4-acetyl-5-(2-thienyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 3677334
N-(4-acetyl-5-methyl-5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 145990080
N-[4-acetyl-5-(3-methylthiophen-2-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 3273587
N-prop-2-enyl-N-(2-thiophen-2-yl-2,3-dihydro-1,3,4-thiadiazol-5-yl)acetamide
CID 90675469
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 135449512
2-(2-imino-1,3-thiazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2701269
N-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 47106457
2-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 51074869
3-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 53512761
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 75391003
Acetamide, N-[4-acetyl-5-(5-bromothiophen-2-yl)-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-
CID 4918993

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 902636) is N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[(2S)-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-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is LMUUFTSLJKNODC-VIFPVBQESA-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-/m0/s1.
What are the key properties of N-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[(2S)-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-[(2S)-3-acetyl-2-thiophen-2-yl-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 902636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).