ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate

C19H18N2O2S — CID 108738545

IUPACethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H18N2O2S/c1-2-23-19(22)20-12-14-7-6-10-16(11-14)18-21-17(13-24-18)15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,20,22)
InChIKeyHCNWPXYFGYYDHW-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.72
Rot. Bonds5

About ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate

ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate (PubChem CID 108738545) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
PubChem CID108738545
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
SMILESCCOC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C19H18N2O2S/c1-2-23-19(22)20-12-14-7-6-10-16(11-14)18-21-17(13-24-18)15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,20,22)
InChIKeyHCNWPXYFGYYDHW-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
butyl N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108739666
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 54774064
ethyl 4-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyrimidine-5-carboxylate
CID 108775811
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
3-methyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 54773936
3-[butyl(methyl)amino]-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108738584
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
5-oxo-5-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
CID 108738573
5-bromo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]furan-2-carboxamide
CID 108761306

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate?
The IUPAC name of ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate (CID 108738545) is ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate is CCOC(=O)NCc1cccc(-c2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate?
The InChIKey is HCNWPXYFGYYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-23-19(22)20-12-14-7-6-10-16(11-14)18-21-17(13-24-18)15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,20,22).
What are the key properties of ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate?
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate has a molecular weight of 338.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 108738545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).