tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate

C17H25N3O3S — CID 164769731

IUPACtert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)N1CCC(C=Cc2csc(NC(=O)OC(C)(C)C)n2)CC1
InChIInChI=1S/C17H25N3O3S/c1-12(21)20-9-7-13(8-10-20)5-6-14-11-24-15(18-14)19-16(22)23-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,18,19,22)
InChIKeyJSXKFJFLNUITOY-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 164769731) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID164769731
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Nametert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)N1CCC(C=Cc2csc(NC(=O)OC(C)(C)C)n2)CC1
InChIInChI=1S/C17H25N3O3S/c1-12(21)20-9-7-13(8-10-20)5-6-14-11-24-15(18-14)19-16(22)23-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,18,19,22)
InChIKeyJSXKFJFLNUITOY-UHFFFAOYSA-N
XLogP3.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769747
tert-butyl N-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 162744050
tert-butyl N-[4-[2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate;ethane
CID 142514731
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769613
tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
CID 87420278
tert-butyl N-[4-[1-(hydroxyamino)-2-sulfanylideneethyl]-1,3-thiazol-2-yl]carbamate
CID 91224760
(Z)-4-cyclopentyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]but-2-enoic acid
CID 10043598
tert-butyl N-[4-[2-[(1-carbamoylazetidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 146022911
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate (CID 164769731) is tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate is CC(=O)N1CCC(C=Cc2csc(NC(=O)OC(C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is JSXKFJFLNUITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12(21)20-9-7-13(8-10-20)5-6-14-11-24-15(18-14)19-16(22)23-17(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,18,19,22).
What are the key properties of tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 351.47 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 164769731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).