N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C11H13N3O2S3 — CID 2218643

IUPACN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOCCSc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C11H13N3O2S3/c1-16-4-6-18-11-14-13-10(19-11)12-9(15)7-8-3-2-5-17-8/h2-3,5H,4,6-7H2,1H3,(H,12,13,15)
InChIKeyIECWXZSBRFXWLS-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.52
Rot. Bonds7

About N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 2218643) has the molecular formula C11H13N3O2S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID2218643
Molecular FormulaC11H13N3O2S3
Molecular Weight315.45 g/mol
Exact Mass315.02
IUPAC NameN-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESCOCCSc1nnc(NC(=O)Cc2cccs2)s1
InChIInChI=1S/C11H13N3O2S3/c1-16-4-6-18-11-14-13-10(19-11)12-9(15)7-8-3-2-5-17-8/h2-3,5H,4,6-7H2,1H3,(H,12,13,15)
InChIKeyIECWXZSBRFXWLS-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

Sulfonamide deriv., 6
CID 44520900
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
N-{5-[2-(2,6-Dimethyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]thiadiazol-2-yl}-2-thiophen-2-yl-acetamide
CID 653035
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 847037
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 831646
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-thienyl)acetamide
CID 1245966
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-yl)acetamide
CID 769201
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 1803175
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 3220506
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 651910

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 2218643) is N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is COCCSc1nnc(NC(=O)Cc2cccs2)s1.
What is the InChIKey of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is IECWXZSBRFXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S3/c1-16-4-6-18-11-14-13-10(19-11)12-9(15)7-8-3-2-5-17-8/h2-3,5H,4,6-7H2,1H3,(H,12,13,15).
What are the key properties of N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 315.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2218643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).