tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate

C11H16N2O2S — CID 169466870

IUPACtert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1nccs1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-9-12-7-8-16-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyTVPAWXIAPXNESJ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate (PubChem CID 169466870) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
PubChem CID169466870
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nametert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1nccs1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-9-12-7-8-16-9/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyTVPAWXIAPXNESJ-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 169466876
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1,3-thiazole-5-carboxylate
CID 169467907
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466961
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
methyl 2-oxo-5-(1,3-thiazol-2-yl)pent-4-enoate
CID 141015434
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
methyl 3-oxo-5-(1,3-thiazol-2-yl)pent-4-enoate
CID 161276516
tert-butyl N-[3-[2-(trifluoromethyl)-4-pyridinyl]prop-2-enyl]carbamate
CID 169467883
tert-butyl N-[3-(2-chloro-3-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169468572

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate (CID 169466870) is tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1nccs1.
What is the InChIKey of tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The InChIKey is TVPAWXIAPXNESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-9-12-7-8-16-9/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate has a molecular weight of 240.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).