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

C17H19FN2O3S — CID 164769613

IUPACtert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(C=Cc2csc(NC(=O)OC(C)(C)C)n2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)23-16(21)20-15-19-12(10-24-15)7-5-11-6-8-13(22-4)9-14(11)18/h5-10H,1-4H3,(H,19,20,21)
InChIKeySJNYQNUOQKGGGY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.81
Rot. Bonds4

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

tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 164769613) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
PubChem CID164769613
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Nametert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
SMILESCOc1ccc(C=Cc2csc(NC(=O)OC(C)(C)C)n2)c(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)23-16(21)20-15-19-12(10-24-15)7-5-11-6-8-13(22-4)9-14(11)18/h5-10H,1-4H3,(H,19,20,21)
InChIKeySJNYQNUOQKGGGY-UHFFFAOYSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-amine
CID 77039954
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
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-morpholin-4-ylphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate
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tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
tert-butyl N-[4-[2-(1-acetylpiperidin-4-yl)ethenyl]-1,3-thiazol-2-yl]carbamate
CID 164769731
[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-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate (CID 164769613) is tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate is COc1ccc(C=Cc2csc(NC(=O)OC(C)(C)C)n2)c(F)c1.
What is the InChIKey of tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is SJNYQNUOQKGGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(2,3)23-16(21)20-15-19-12(10-24-15)7-5-11-6-8-13(22-4)9-14(11)18/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 4.81, 4 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-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 164769613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).