4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

C11H14N4O3S2 — CID 115335854

IUPAC4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(C2CCS(=O)(=O)C2)no1
InChIInChI=1S/C11H14N4O3S2/c1-6-8(11(12-2)19-15-6)10-13-9(14-18-10)7-3-4-20(16,17)5-7/h7,12H,3-5H2,1-2H3
InChIKeyCUFNNHYFZAXKCG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.45
Rot. Bonds3

About 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 115335854) has the molecular formula C11H14N4O3S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID115335854
Molecular FormulaC11H14N4O3S2
Molecular Weight314.39 g/mol
Exact Mass314.05
IUPAC Name4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(C2CCS(=O)(=O)C2)no1
InChIInChI=1S/C11H14N4O3S2/c1-6-8(11(12-2)19-15-6)10-13-9(14-18-10)7-3-4-20(16,17)5-7/h7,12H,3-5H2,1-2H3
InChIKeyCUFNNHYFZAXKCG-UHFFFAOYSA-N
XLogP1.45
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine with MolForge

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Related Compounds

2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 115336022
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 115335909
3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
CID 115337631
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115337585
3-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 113289869
methyl 2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 115336087
[4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 115335998
3-[5-(2-cyclohexyl-1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 128847657
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335898
(1S)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901772
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 103442639
N-[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113289901

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 115335854) is 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(C2CCS(=O)(=O)C2)no1.
What is the InChIKey of 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is CUFNNHYFZAXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S2/c1-6-8(11(12-2)19-15-6)10-13-9(14-18-10)7-3-4-20(16,17)5-7/h7,12H,3-5H2,1-2H3.
What are the key properties of 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 314.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 115335854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).