tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate

C13H18N2O3S — CID 86697894

IUPACtert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)c1ccns1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3S/c1-5-8-15(12(17)18-13(2,3)4)9-10(16)11-6-7-14-19-11/h5-7H,1,8-9H2,2-4H3
InChIKeyPRTRTQSNXKMGHK-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.75
Rot. Bonds5

About tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate (PubChem CID 86697894) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
PubChem CID86697894
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nametert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)c1ccns1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O3S/c1-5-8-15(12(17)18-13(2,3)4)9-10(16)11-6-7-14-19-11/h5-7H,1,8-9H2,2-4H3
InChIKeyPRTRTQSNXKMGHK-UHFFFAOYSA-N
XLogP2.75
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-Oxo-2-(1,2-thiazol-5-yl)ethyl]-prop-2-enylcarbamic acid
CID 89823446
methyl-N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylboronamidic acid
CID 89832270
tert-butyl N-[2-imino-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate
CID 89834514
tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate
CID 90713548
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate
CID 160806284
2-(Azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone
CID 130840859
2-(Dimethylamino)-1-(1,2-thiazol-5-yl)ethanone
CID 130917841
tert-butyl N-[4-oxo-4-(1,2-thiazol-5-yl)butyl]carbamate
CID 165462641
tert-butyl N-[(2R)-4-oxo-4-(1,2-thiazol-5-yl)butan-2-yl]carbamate
CID 165464020
tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
CID 165464630
tert-butyl N-[4-oxo-4-(1,2-thiazol-5-yl)butan-2-yl]carbamate
CID 165464714
tert-butyl N-[2-methyl-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
CID 165468019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate (CID 86697894) is tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate is C=CCN(CC(=O)c1ccns1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate?
The InChIKey is PRTRTQSNXKMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-5-8-15(12(17)18-13(2,3)4)9-10(16)11-6-7-14-19-11/h5-7H,1,8-9H2,2-4H3.
What are the key properties of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate has a molecular weight of 282.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 86697894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).