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

C9H14N2O2S2 — CID 115088417

IUPAC2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c10-4-3-7-6-14-9(11-7)8-2-1-5-15(8,12)13/h6,8H,1-5,10H2
InChIKeyBWPKIJSKYNOHGB-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.89
Rot. Bonds3

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

2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115088417) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115088417
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(C2CCCS2(=O)=O)n1
InChIInChI=1S/C9H14N2O2S2/c10-4-3-7-6-14-9(11-7)8-2-1-5-15(8,12)13/h6,8H,1-5,10H2
InChIKeyBWPKIJSKYNOHGB-UHFFFAOYSA-N
XLogP0.89
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]acetaldehyde
CID 115088374
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088406
3-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115088576
1-[2-(1,1-dioxothian-2-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 115088486
1-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanone
CID 115088350
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
CID 82670376
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088665
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
CID 65403899

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine (CID 115088417) is 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(C2CCCS2(=O)=O)n1.
What is the InChIKey of 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is BWPKIJSKYNOHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c10-4-3-7-6-14-9(11-7)8-2-1-5-15(8,12)13/h6,8H,1-5,10H2.
What are the key properties of 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115088417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).