1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine

C14H17N3O3S — CID 110653681

IUPAC1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCCc2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C14H17N3O3S/c18-21(19)9-7-12(10-21)15-8-6-13-16-17-14(20-13)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyWASLKTRGZYGVCH-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.06
Rot. Bonds5

About 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine

1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine (PubChem CID 110653681) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine
PubChem CID110653681
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine
SMILESO=S1(=O)CCC(NCCc2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C14H17N3O3S/c18-21(19)9-7-12(10-21)15-8-6-13-16-17-14(20-13)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKeyWASLKTRGZYGVCH-UHFFFAOYSA-N
XLogP1.06
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651696
N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 31479026
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
N-[2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62164852
N-[2-(2-bromophenyl)ethyl]-1,1-dioxothiolan-3-amine;hydrochloride
CID 45158528
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 22110716
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine (CID 110653681) is 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine is O=S1(=O)CCC(NCCc2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine?
The InChIKey is WASLKTRGZYGVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-21(19)9-7-12(10-21)15-8-6-13-16-17-14(20-13)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2.
What are the key properties of 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine?
1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine has a molecular weight of 307.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 110653681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).