ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate

C10H14N2O3S — CID 12831779

IUPACethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(14)8(13)12-10-11-7(5-16-10)6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyQTQZWFJSVGFFQC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.77
Rot. Bonds3

About ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate

ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 12831779) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate
PubChem CID12831779
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(14)8(13)12-10-11-7(5-16-10)6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyQTQZWFJSVGFFQC-UHFFFAOYSA-N
XLogP1.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 2914163
CID 2914163
CID 2205903
CID 2205903
CID 86812543
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CID 78874132
CID 78874132
CID 78875330
CID 78875330
CID 161557035
CID 161557035
CID 2163039
CID 2163039
CID 2163047
CID 2163047
CID 3452736
CID 3452736
CID 12831780
CID 12831780
CID 12831788
CID 12831788
CID 12831789
CID 12831789

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate (CID 12831779) is ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate is CCOC(=O)C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is QTQZWFJSVGFFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-9(14)8(13)12-10-11-7(5-16-10)6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate?
ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 242.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 12831779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).