ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate

C13H19N3O5S — CID 154753101

IUPACethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)NOC2CCCCO2)n1
InChIInChI=1S/C13H19N3O5S/c1-2-19-10(17)7-9-8-22-13(14-9)15-12(18)16-21-11-5-3-4-6-20-11/h8,11H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyWVZRQCLANLEACC-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 154753101) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID154753101
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC Nameethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)NOC2CCCCO2)n1
InChIInChI=1S/C13H19N3O5S/c1-2-19-10(17)7-9-8-22-13(14-9)15-12(18)16-21-11-5-3-4-6-20-11/h8,11H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyWVZRQCLANLEACC-UHFFFAOYSA-N
XLogP1.83
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019287
ethyl 2-[2-[[2-(thian-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 80710853
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119672756
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575965
ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate (CID 154753101) is ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)NOC2CCCCO2)n1.
What is the InChIKey of ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is WVZRQCLANLEACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-2-19-10(17)7-9-8-22-13(14-9)15-12(18)16-21-11-5-3-4-6-20-11/h8,11H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 329.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 154753101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).