tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate

C15H23N3O4S — CID 91120666

IUPACtert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-12(8-11-9-23-10-16-11)13(19)18-4-6-21-7-5-18/h9-10,12H,4-8H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyRBFKZIDIPADMSC-LBPRGKRZSA-N
MW341.43 g/mol
LogP1.44
Rot. Bonds4

About tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate (PubChem CID 91120666) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
PubChem CID91120666
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Nametert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)N1CCOCC1
InChIInChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-12(8-11-9-23-10-16-11)13(19)18-4-6-21-7-5-18/h9-10,12H,4-8H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyRBFKZIDIPADMSC-LBPRGKRZSA-N
XLogP1.44
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate (CID 91120666) is tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
The InChIKey is RBFKZIDIPADMSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(2,3)22-14(20)17-12(8-11-9-23-10-16-11)13(19)18-4-6-21-7-5-18/h9-10,12H,4-8H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate has a molecular weight of 341.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate is sourced from PubChem (CID 91120666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).