N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

C15H15N3O3S2 — CID 52988728

IUPACN-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(CSc1nnc(NC(=O)C2CCCO2)s1)c1ccccc1
InChIInChI=1S/C15H15N3O3S2/c19-11(10-5-2-1-3-6-10)9-22-15-18-17-14(23-15)16-13(20)12-7-4-8-21-12/h1-3,5-6,12H,4,7-9H2,(H,16,17,20)
InChIKeyXXMGVFLRKUSWND-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.63
Rot. Bonds6

About N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (PubChem CID 52988728) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
PubChem CID52988728
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(CSc1nnc(NC(=O)C2CCCO2)s1)c1ccccc1
InChIInChI=1S/C15H15N3O3S2/c19-11(10-5-2-1-3-6-10)9-22-15-18-17-14(23-15)16-13(20)12-7-4-8-21-12/h1-3,5-6,12H,4,7-9H2,(H,16,17,20)
InChIKeyXXMGVFLRKUSWND-UHFFFAOYSA-N
XLogP2.63
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4276006
(2R)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 41047629
ethyl 2-[[5-[[3-[[(2R)-oxolane-2-carbonyl]amino]benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 30748005
methyl 4-[[5-[[(2S)-oxolane-2-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 2120394
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)oxetane-2-carboxamide
CID 167891853
cis-(1S,2R)-N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 93126138
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
1-(3,4-dichlorophenyl)-3-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 41017460
2-[[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid
CID 23796964
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676

Frequently Asked Questions

What is the IUPAC name of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (CID 52988728) is N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is O=C(CSc1nnc(NC(=O)C2CCCO2)s1)c1ccccc1.
What is the InChIKey of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is XXMGVFLRKUSWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c19-11(10-5-2-1-3-6-10)9-22-15-18-17-14(23-15)16-13(20)12-7-4-8-21-12/h1-3,5-6,12H,4,7-9H2,(H,16,17,20).
What are the key properties of N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 52988728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).