1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine

C11H18N2O2S2 — CID 115088812

IUPAC1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC2CCCCS2(=O)=O)n1
InChIInChI=1S/C11H18N2O2S2/c1-8(12)10-7-16-11(13-10)6-9-4-2-3-5-17(9,14)15/h7-9H,2-6,12H2,1H3
InChIKeyQBWOAFVMTOMPOW-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine

1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 115088812) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID115088812
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC2CCCCS2(=O)=O)n1
InChIInChI=1S/C11H18N2O2S2/c1-8(12)10-7-16-11(13-10)6-9-4-2-3-5-17(9,14)15/h7-9H,2-6,12H2,1H3
InChIKeyQBWOAFVMTOMPOW-UHFFFAOYSA-N
XLogP1.67
TPSA73.05 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]-N-methylpropan-2-amine
CID 115088841
[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088665
1-[3-[(1,1-dioxothian-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081152
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
3-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 115088740
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545360
2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
CID 115087647
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
4-(1-aminoethyl)-N-cyclohexyl-N-ethyl-1,3-thiazol-2-amine
CID 64544532

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 115088812) is 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(CC2CCCCS2(=O)=O)n1.
What is the InChIKey of 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is QBWOAFVMTOMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-8(12)10-7-16-11(13-10)6-9-4-2-3-5-17(9,14)15/h7-9H,2-6,12H2,1H3.
What are the key properties of 1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.67, 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-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115088812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).