[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate

C8H12N2O3S — CID 67053266

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1csc(CCN)n1
InChIInChI=1S/C8H12N2O3S/c1-2-12-8(11)13-6-5-14-7(10-6)3-4-9/h5H,2-4,9H2,1H3
InChIKeyXDUSDKBVPBTPDF-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.18
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate

[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate (PubChem CID 67053266) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate
PubChem CID67053266
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate
SMILESCCOC(=O)Oc1csc(CCN)n1
InChIInChI=1S/C8H12N2O3S/c1-2-12-8(11)13-6-5-14-7(10-6)3-4-9/h5H,2-4,9H2,1H3
InChIKeyXDUSDKBVPBTPDF-UHFFFAOYSA-N
XLogP1.18
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate (CID 67053266) is [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate is CCOC(=O)Oc1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate?
The InChIKey is XDUSDKBVPBTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-2-12-8(11)13-6-5-14-7(10-6)3-4-9/h5H,2-4,9H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate?
[2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate has a molecular weight of 216.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl] ethyl carbonate is sourced from PubChem (CID 67053266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).