1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C11H18N2O2S2 — CID 115337095

IUPAC1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C2CCS(=O)(=O)C2)nc1C
InChIInChI=1S/C11H18N2O2S2/c1-7(12-3)10-8(2)13-11(16-10)9-4-5-17(14,15)6-9/h7,9,12H,4-6H2,1-3H3
InChIKeyBJSSTBJRZDRIDZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115337095) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115337095
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(C2CCS(=O)(=O)C2)nc1C
InChIInChI=1S/C11H18N2O2S2/c1-7(12-3)10-8(2)13-11(16-10)9-4-5-17(14,15)6-9/h7,9,12H,4-6H2,1-3H3
InChIKeyBJSSTBJRZDRIDZ-UHFFFAOYSA-N
XLogP1.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 115337336
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
ethyl 2-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526256
N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
3-[4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-yl]thiolane 1,1-dioxide
CID 115338666
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750110
N-[[4-tert-butyl-2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362534
1-[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 115337095) is 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(C2CCS(=O)(=O)C2)nc1C.
What is the InChIKey of 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is BJSSTBJRZDRIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-7(12-3)10-8(2)13-11(16-10)9-4-5-17(14,15)6-9/h7,9,12H,4-6H2,1-3H3.
What are the key properties of 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115337095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).