tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate

C13H20N2O2S — CID 169466961

IUPACtert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate
SMILESCc1nc(C=CCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(2)18-11(15-9)7-6-8-14-12(16)17-13(3,4)5/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyAUEKERZMCQXWIV-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.30
Rot. Bonds3

About tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate (PubChem CID 169466961) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate
PubChem CID169466961
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate
SMILESCc1nc(C=CCNC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(2)18-11(15-9)7-6-8-14-12(16)17-13(3,4)5/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyAUEKERZMCQXWIV-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(1,3-thiazol-2-yl)prop-2-enyl]carbamate
CID 169466870
tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809068
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1,3-thiazole-5-carboxylate
CID 169467907
tert-butyl N-[(E)-4-oxobut-2-enyl]carbamate
CID 131235306
tert-butyl N-(3-trimethylsilylprop-2-enyl)carbamate
CID 85157761
tert-butyl N-(3-bromoprop-2-enyl)carbamate
CID 173240519
tert-butyl N-[3-(3-methylthiophen-2-yl)prop-2-enyl]carbamate
CID 169466876
tert-butyl N-[(E)-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]but-2-enyl]carbamate
CID 107252707
tert-butyl N-[3-(5-hydroxypyrimidin-2-yl)prop-2-enyl]carbamate
CID 169466944
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
tert-butyl N-[3-(4,5-dibromothiophen-2-yl)prop-2-enyl]carbamate
CID 169468821
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate (CID 169466961) is tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate is Cc1nc(C=CCNC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate?
The InChIKey is AUEKERZMCQXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-10(2)18-11(15-9)7-6-8-14-12(16)17-13(3,4)5/h6-7H,8H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate has a molecular weight of 268.38 g/mol, XLogP of 3.30, 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-(4,5-dimethyl-1,3-thiazol-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).