[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate

C15H17FN2O2S — CID 71265465

IUPAC[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate
SMILESCCc1snc(C)c1NC(=O)O[C@H](C)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-4-13-14(9(2)18-21-13)17-15(19)20-10(3)11-6-5-7-12(16)8-11/h5-8,10H,4H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyKKTZFYUAGMCXEO-SNVBAGLBSA-N
MW308.38 g/mol
LogP4.46
Rot. Bonds4

About [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate

[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate (PubChem CID 71265465) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate
PubChem CID71265465
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate
SMILESCCc1snc(C)c1NC(=O)O[C@H](C)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c1-4-13-14(9(2)18-21-13)17-15(19)20-10(3)11-6-5-7-12(16)8-11/h5-8,10H,4H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKeyKKTZFYUAGMCXEO-SNVBAGLBSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate?
The IUPAC name of [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate (CID 71265465) is [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate.
What is the SMILES notation for [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate?
The canonical SMILES for [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate is CCc1snc(C)c1NC(=O)O[C@H](C)c1cccc(F)c1.
What is the InChIKey of [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate?
The InChIKey is KKTZFYUAGMCXEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-4-13-14(9(2)18-21-13)17-15(19)20-10(3)11-6-5-7-12(16)8-11/h5-8,10H,4H2,1-3H3,(H,17,19)/t10-/m1/s1.
What are the key properties of [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate?
[(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate has a molecular weight of 308.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-fluorophenyl)ethyl] N-(5-ethyl-3-methyl-1,2-thiazol-4-yl)carbamate is sourced from PubChem (CID 71265465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).