tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate

C11H16N2O3S — CID 165464630

IUPACtert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-7(9(14)8-5-6-12-17-8)13-10(15)16-11(2,3)4/h5-7H,1-4H3,(H,13,15)/t7-/m1/s1
InChIKeyPAWGUOQYDVPQRB-SSDOTTSWSA-N
MW256.33 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (PubChem CID 165464630) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
PubChem CID165464630
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-7(9(14)8-5-6-12-17-8)13-10(15)16-11(2,3)4/h5-7H,1-4H3,(H,13,15)/t7-/m1/s1
InChIKeyPAWGUOQYDVPQRB-SSDOTTSWSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate (CID 165464630) is tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccns1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
The InChIKey is PAWGUOQYDVPQRB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(9(14)8-5-6-12-17-8)13-10(15)16-11(2,3)4/h5-7H,1-4H3,(H,13,15)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-(1,2-thiazol-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 165464630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).