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

C11H18N2O2S2 — CID 115089949

IUPAC1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12-2)10-7-13-11(16-10)9-3-5-17(14,15)6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeySBGCTABOBSHVKG-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.72
Rot. Bonds3

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

1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115089949) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115089949
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C11H18N2O2S2/c1-8(12-2)10-7-13-11(16-10)9-3-5-17(14,15)6-4-9/h7-9,12H,3-6H2,1-2H3
InChIKeySBGCTABOBSHVKG-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
N-methyl-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089955
1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 65391518
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62751813
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
N-[1-[2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65391520
1-[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115337095
1-(2-piperidin-4-yl-1,3-thiazol-5-yl)ethanol
CID 115089882
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 115089949) is 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(C2CCS(=O)(=O)CC2)s1.
What is the InChIKey of 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is SBGCTABOBSHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(12-2)10-7-13-11(16-10)9-3-5-17(14,15)6-4-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.72, 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-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115089949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).