1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine

C10H16N2O2S2 — CID 115090388

IUPAC1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyLXPPRPGRPKTXDW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.46
Rot. Bonds2

About 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115090388) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115090388
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC Name1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N2O2S2/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3
InChIKeyLXPPRPGRPKTXDW-UHFFFAOYSA-N
XLogP1.46
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090326
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085576
1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 112681621
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089939
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
1-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089949
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
1-[2-(1,1-dioxothiolan-3-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115089834
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115091052
1-(2-piperidin-2-yl-1,3-thiazol-5-yl)ethanamine
CID 115090671
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,3-thiazol-5-yl]ethanamine
CID 64984326

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine (CID 115090388) is 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(C2CCCS(=O)(=O)C2)s1.
What is the InChIKey of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LXPPRPGRPKTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-7(11)9-5-12-10(15-9)8-3-2-4-16(13,14)6-8/h5,7-8H,2-4,6,11H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 1.46, 2 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-3-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115090388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).