[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C16H24N2O4S — CID 9114750

IUPAC[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC1CCCCCCC1
InChIInChI=1S/C16H24N2O4S/c1-12-11-23-16(21)18(12)9-15(20)22-10-14(19)17-13-7-5-3-2-4-6-8-13/h11,13H,2-10H2,1H3,(H,17,19)
InChIKeyLUBPZXUSGMMXGC-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.99
Rot. Bonds5

About [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 9114750) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID9114750
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)NC1CCCCCCC1
InChIInChI=1S/C16H24N2O4S/c1-12-11-23-16(21)18(12)9-15(20)22-10-14(19)17-13-7-5-3-2-4-6-8-13/h11,13H,2-10H2,1H3,(H,17,19)
InChIKeyLUBPZXUSGMMXGC-UHFFFAOYSA-N
XLogP1.99
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 9114750) is [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is LUBPZXUSGMMXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-11-23-16(21)18(12)9-15(20)22-10-14(19)17-13-7-5-3-2-4-6-8-13/h11,13H,2-10H2,1H3,(H,17,19).
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 340.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 9114750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).