Skip to content

Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate

C23H30FN3O4S — CID 146512195

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
SMILESCc1nc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)sc1N1CCOCC1
InChIInChI=1S/C23H30FN3O4S/c1-16-21(27-9-11-29-12-10-27)32-20(26-16)18-5-7-19(8-6-18)30-15-17(13-24)14-25-22(28)31-23(2,3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H,25,28)/b17-13+
InChIKeyWPIADCFTUBCXIG-GHRIWEEISA-N
MW463.58 g/mol
LogP4.71
Rot. Bonds7

About Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate

Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate (PubChem CID 146512195) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
PubChem CID146512195
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Nametert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate
SMILESCc1nc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)sc1N1CCOCC1
InChIInChI=1S/C23H30FN3O4S/c1-16-21(27-9-11-29-12-10-27)32-20(26-16)18-5-7-19(8-6-18)30-15-17(13-24)14-25-22(28)31-23(2,3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H,25,28)/b17-13+
InChIKeyWPIADCFTUBCXIG-GHRIWEEISA-N
XLogP4.71
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-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-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate (CID 146512195) is tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-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-5-morpholin-4-yl-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-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate is Cc1nc(-c2ccc(OC/C(=C/F)CNC(=O)OC(C)(C)C)cc2)sc1N1CCOCC1.
What is the InChIKey of Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
The InChIKey is WPIADCFTUBCXIG-GHRIWEEISA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-16-21(27-9-11-29-12-10-27)32-20(26-16)18-5-7-19(8-6-18)30-15-17(13-24)14-25-22(28)31-23(2,3)4/h5-8,13H,9-12,14-15H2,1-4H3,(H,25,28)/b17-13+.
What are the key properties of Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate?
Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[(E)-3-fluoro-2-[[4-(4-methyl-5-morpholin-4-yl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-enyl]carbamate is sourced from PubChem (CID 146512195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.