benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate

C14H14N2O3S — CID 73023394

IUPACbenzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)c1nccs1
InChIInChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)16-14(18)19-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyONRFUOLFRANBQX-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds5

About benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate

benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate (PubChem CID 73023394) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
PubChem CID73023394
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namebenzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)C(=O)c1nccs1
InChIInChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)16-14(18)19-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyONRFUOLFRANBQX-UHFFFAOYSA-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

Analyze benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamate
CID 59135228
benzyl N-(1-oxo-1-pyridin-3-ylpropan-2-yl)carbamate
CID 156757915
[(2S)-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl] N-benzylcarbamate
CID 175377376
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-[(2S)-1-(3-bromophenyl)-1-oxopropan-2-yl]carbamate
CID 139886120
benzyl N-[2-methyl-4-(1,3-thiazol-2-yl)butyl]carbamate
CID 57242368
benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
benzyl N-(4-chloro-3-oxobutan-2-yl)carbamate
CID 14021709

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate (CID 73023394) is benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate is CC(NC(=O)OCc1ccccc1)C(=O)c1nccs1.
What is the InChIKey of benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
The InChIKey is ONRFUOLFRANBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10(12(17)13-15-7-8-20-13)16-14(18)19-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,16,18).
What are the key properties of benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate?
benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate 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 benzyl N-[1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 73023394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).