tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate

C19H23FN2O3S — CID 146512252

IUPACtert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
SMILESCc1csc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C19H23FN2O3S/c1-13-12-26-17(22-13)15-5-7-16(8-6-15)24-11-14(9-20)10-21-18(23)25-19(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,21,23)/b14-9+
InChIKeyBXZPZDPRRWDWSW-NTEUORMPSA-N
MW378.47 g/mol
LogP4.88
Rot. Bonds6

About tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate (PubChem CID 146512252) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
PubChem CID146512252
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Nametert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
SMILESCc1csc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)n1
InChIInChI=1S/C19H23FN2O3S/c1-13-12-26-17(22-13)15-5-7-16(8-6-15)24-11-14(9-20)10-21-18(23)25-19(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,21,23)/b14-9+
InChIKeyBXZPZDPRRWDWSW-NTEUORMPSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate (CID 146512252) is tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate is Cc1csc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)n1.
What is the InChIKey of tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
The InChIKey is BXZPZDPRRWDWSW-NTEUORMPSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-13-12-26-17(22-13)15-5-7-16(8-6-15)24-11-14(9-20)10-21-18(23)25-19(2,3)4/h5-9,12H,10-11H2,1-4H3,(H,21,23)/b14-9+.
What are the key properties of tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate is sourced from PubChem (CID 146512252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).