tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate

C24H26N4O5S — CID 66832263

IUPACtert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OC(=O)NCc2cncs2)c1)c1ccccc1
InChIInChI=1S/C24H26N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)27-17-10-7-11-18(12-17)32-22(30)26-14-19-13-25-15-34-19/h4-13,15,20H,14H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-/m0/s1
InChIKeyWDGUKUDTWAFXOU-FQEVSTJZSA-N
MW482.56 g/mol
LogP4.64
Rot. Bonds7

About tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate

tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate (PubChem CID 66832263) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate
PubChem CID66832263
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Nametert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OC(=O)NCc2cncs2)c1)c1ccccc1
InChIInChI=1S/C24H26N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)27-17-10-7-11-18(12-17)32-22(30)26-14-19-13-25-15-34-19/h4-13,15,20H,14H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-/m0/s1
InChIKeyWDGUKUDTWAFXOU-FQEVSTJZSA-N
XLogP4.64
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate (CID 66832263) is tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)Nc1cccc(OC(=O)NCc2cncs2)c1)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate?
The InChIKey is WDGUKUDTWAFXOU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-24(2,3)33-23(31)28-20(16-8-5-4-6-9-16)21(29)27-17-10-7-11-18(12-17)32-22(30)26-14-19-13-25-15-34-19/h4-13,15,20H,14H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate?
tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate has a molecular weight of 482.56 g/mol, XLogP of 4.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-oxo-1-phenyl-2-[3-(1,3-thiazol-5-ylmethylcarbamoyloxy)anilino]ethyl]carbamate is sourced from PubChem (CID 66832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).