N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide

C16H20N4OS2 — CID 47074211

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCCc1nnc(NC(=O)C(c2ccccc2)N2CCSCC2)s1
InChIInChI=1S/C16H20N4OS2/c1-2-13-18-19-16(23-13)17-15(21)14(12-6-4-3-5-7-12)20-8-10-22-11-9-20/h3-7,14H,2,8-11H2,1H3,(H,17,19,21)
InChIKeyVCUSHTIMSWGEMF-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.83
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 47074211) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID47074211
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCCc1nnc(NC(=O)C(c2ccccc2)N2CCSCC2)s1
InChIInChI=1S/C16H20N4OS2/c1-2-13-18-19-16(23-13)17-15(21)14(12-6-4-3-5-7-12)20-8-10-22-11-9-20/h3-7,14H,2,8-11H2,1H3,(H,17,19,21)
InChIKeyVCUSHTIMSWGEMF-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-[[5-[4-[5-[[(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-phenylacetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxo-1-phenylethyl]piperazine-1-carboxylate
CID 145168259
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
N-(4-anilinophenyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 60587255
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 51135603
(2R)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 52533622
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 94821206
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-piperidin-1-ylacetamide
CID 46952064
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1019431
N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 46952070

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 47074211) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide is CCc1nnc(NC(=O)C(c2ccccc2)N2CCSCC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is VCUSHTIMSWGEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-2-13-18-19-16(23-13)17-15(21)14(12-6-4-3-5-7-12)20-8-10-22-11-9-20/h3-7,14H,2,8-11H2,1H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 348.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 47074211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).