N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

C12H13N3O2S2 — CID 2852882

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCSc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C12H13N3O2S2/c1-2-18-12-15-14-11(19-12)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKeyHOWDUDRRYYVTNY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.67
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (PubChem CID 2852882) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
PubChem CID2852882
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
SMILESCCSc1nnc(NC(=O)COc2ccccc2)s1
InChIInChI=1S/C12H13N3O2S2/c1-2-18-12-15-14-11(19-12)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16)
InChIKeyHOWDUDRRYYVTNY-UHFFFAOYSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 729595
2-phenoxy-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2102404
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 4799259
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 1957156
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2948040
2-(4-chlorophenoxy)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 903168
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 2973785
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 3000041
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 810814

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide (CID 2852882) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is CCSc1nnc(NC(=O)COc2ccccc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is HOWDUDRRYYVTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-2-18-12-15-14-11(19-12)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,16).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 295.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2852882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).