tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate

C20H20FN3O2S — CID 24988222

IUPACtert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2S/c1-20(2,3)26-19(25)24(17-6-4-15(21)5-7-17)12-16-13-27-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyZEGOCPKGBBALJW-UHFFFAOYSA-N
MW385.46 g/mol
LogP5.29
Rot. Bonds4

About tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate

tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 24988222) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID24988222
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Nametert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O2S/c1-20(2,3)26-19(25)24(17-6-4-15(21)5-7-17)12-16-13-27-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3
InChIKeyZEGOCPKGBBALJW-UHFFFAOYSA-N
XLogP5.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]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-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate (CID 24988222) is tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1csc(-c2ccncc2)n1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is ZEGOCPKGBBALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-20(2,3)26-19(25)24(17-6-4-15(21)5-7-17)12-16-13-27-18(23-16)14-8-10-22-11-9-14/h4-11,13H,12H2,1-3H3.
What are the key properties of tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate?
tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate has a molecular weight of 385.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]carbamate is sourced from PubChem (CID 24988222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).