[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate

C14H14N2O3S — CID 175377376

IUPAC[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
SMILESC[C@H](OC(=O)NCc1ccccc1)C(=O)c1nccs1
InChIInChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)19-14(18)16-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyNUHINEQVNQFNAH-JTQLQIEISA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds5

About [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate

[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate (PubChem CID 175377376) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
PubChem CID175377376
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
SMILESC[C@H](OC(=O)NCc1ccccc1)C(=O)c1nccs1
InChIInChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)19-14(18)16-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyNUHINEQVNQFNAH-JTQLQIEISA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
CID 73023394
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
but-3-en-2-yl N-benzylcarbamate
CID 130012657
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504742
[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethyl] N-benzylcarbamate
CID 140521974
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-2-(2-bromophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 95623315
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate?
The IUPAC name of [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate (CID 175377376) is [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate?
The canonical SMILES for [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate is C[C@H](OC(=O)NCc1ccccc1)C(=O)c1nccs1.
What is the InChIKey of [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate?
The InChIKey is NUHINEQVNQFNAH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)19-14(18)16-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate?
[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate has a molecular weight of 290.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 175377376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).