prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate

C15H16N2O2S — CID 108737641

IUPACprop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
SMILESC=CCOC(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H16N2O2S/c1-2-8-19-15(18)16-10-13-11-20-14(17-13)9-12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,16,18)
InChIKeyGGLFPAOGVINDCO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.15
Rot. Bonds6

About prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate

prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate (PubChem CID 108737641) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
PubChem CID108737641
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Nameprop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
SMILESC=CCOC(=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C15H16N2O2S/c1-2-8-19-15(18)16-10-13-11-20-14(17-13)9-12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,16,18)
InChIKeyGGLFPAOGVINDCO-UHFFFAOYSA-N
XLogP3.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 108737631
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(4-chloro-3,5-dimethylphenoxy)butanamide
CID 108760585
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 108737566
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 108737701
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate?
The IUPAC name of prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate (CID 108737641) is prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate is C=CCOC(=O)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate?
The InChIKey is GGLFPAOGVINDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-8-19-15(18)16-10-13-11-20-14(17-13)9-12-6-4-3-5-7-12/h2-7,11H,1,8-10H2,(H,16,18).
What are the key properties of prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate?
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate has a molecular weight of 288.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate is sourced from PubChem (CID 108737641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).