tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate

C10H14N2O2S — CID 59503612

IUPACtert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate
SMILESC=Cc1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O2S/c1-5-7-11-6-8(15-7)12-9(13)14-10(2,3)4/h5-6H,1H2,2-4H3,(H,12,13)
InChIKeyZMEFZKPZWCCIFC-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate

tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate (PubChem CID 59503612) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate
PubChem CID59503612
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Nametert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate
SMILESC=Cc1ncc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H14N2O2S/c1-5-7-11-6-8(15-7)12-9(13)14-10(2,3)4/h5-6H,1H2,2-4H3,(H,12,13)
InChIKeyZMEFZKPZWCCIFC-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate
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tert-butyl N-(1,3-thiazol-5-yl)carbamate
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tert-butyl N-(2-methyl-1,3-thiazol-5-yl)carbamate
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tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
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tert-butyl N-(2-(propan-2-yl)-1,3-thiazol-5-yl)carbamate
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tert-Butyl (2-cyclopropylthiazol-5-yl)carbamate
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tert-butyl N-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]carbamate
CID 154729526
tert-butyl N-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]carbamate
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tert-Butyl (2-(trifluoromethyl)thiazol-5-yl)carbamate
CID 92045600
tert-Butyl N-(1,3-thiazol-2-ylmethyl)carbamate
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Tert-butyl (2-formylthiazol-5-yl)carbamate
CID 59503642
(2-Morpholin-4-ylmethyl-thiazol-5-yl)-carbamic acid tert-butyl ester
CID 68516619

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate (CID 59503612) is tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate is C=Cc1ncc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate?
The InChIKey is ZMEFZKPZWCCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-5-7-11-6-8(15-7)12-9(13)14-10(2,3)4/h5-6H,1H2,2-4H3,(H,12,13).
What are the key properties of tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate?
tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate has a molecular weight of 226.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethenyl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 59503612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).