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

C11H9FN2O2S — CID 896147

IUPACmethyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)14-10-13-9(6-17-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14,15)
InChIKeyHSXKZLKLIDFJER-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.13
Rot. Bonds2

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

methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 896147) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID896147
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H9FN2O2S/c1-16-11(15)14-10-13-9(6-17-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14,15)
InChIKeyHSXKZLKLIDFJER-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-(4-fluorophenyl)-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate (CID 896147) is methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is HSXKZLKLIDFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-16-11(15)14-10-13-9(6-17-10)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14,15).
What are the key properties of methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate?
methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 896147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).