N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide

C12H13N3OS2 — CID 167952929

IUPACN-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESCCc1nc(NC(=O)CSc2ccccc2)ns1
InChIInChI=1S/C12H13N3OS2/c1-2-11-14-12(15-18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyMLQYDFPYSFEDJJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.83
Rot. Bonds5

About N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide

N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 167952929) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID167952929
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide
SMILESCCc1nc(NC(=O)CSc2ccccc2)ns1
InChIInChI=1S/C12H13N3OS2/c1-2-11-14-12(15-18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16)
InChIKeyMLQYDFPYSFEDJJ-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
CID 71900557
N-[4-[[2,6-diethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl]methyl]-3,5-diethylphenyl]-2-phenylsulfanylacetamide
CID 4601637
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
CID 895128
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254698
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-phenylsulfanylacetohydrazide
CID 7037418
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665313
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide (CID 167952929) is N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide is CCc1nc(NC(=O)CSc2ccccc2)ns1.
What is the InChIKey of N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is MLQYDFPYSFEDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-2-11-14-12(15-18-11)13-10(16)8-17-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide?
N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 279.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 167952929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).