[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate

C12H10BrFN2O2S — CID 140538093

IUPAC[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(-c2ccccc2F)c(Br)s1
InChIInChI=1S/C12H10BrFN2O2S/c1-15-12(17)18-6-9-16-10(11(13)19-9)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyRDOVTWGAOAGNIP-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.57
Rot. Bonds3

About [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate

[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate (PubChem CID 140538093) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate
PubChem CID140538093
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC Name[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1nc(-c2ccccc2F)c(Br)s1
InChIInChI=1S/C12H10BrFN2O2S/c1-15-12(17)18-6-9-16-10(11(13)19-9)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,15,17)
InChIKeyRDOVTWGAOAGNIP-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate 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

2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112693890
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
2-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868773
tert-butyl N-[[4-(2-fluorophenyl)-5-phenylsulfanyl-1,3-thiazol-2-yl]methyl]carbamate
CID 86631598
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
tert-butyl N-[4-carbamoyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]carbamate
CID 141395789
hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
CID 664418
tert-butyl 2-bromo-5-(2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133056061
3-[[5-bromo-4-(3-methylphenyl)-1,3-thiazol-2-yl]methoxy]-2,6-difluorobenzamide
CID 59402783
3-[5-bromo-2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanoic acid
CID 84608719
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115996483

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate?
The IUPAC name of [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate (CID 140538093) is [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate.
What is the SMILES notation for [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate?
The canonical SMILES for [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate is CNC(=O)OCc1nc(-c2ccccc2F)c(Br)s1.
What is the InChIKey of [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate?
The InChIKey is RDOVTWGAOAGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-15-12(17)18-6-9-16-10(11(13)19-9)7-4-2-3-5-8(7)14/h2-5H,6H2,1H3,(H,15,17).
What are the key properties of [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate?
[5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate has a molecular weight of 345.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl N-methylcarbamate is sourced from PubChem (CID 140538093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).