[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid

C12H11FN2O2S — CID 68925488

IUPAC[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
SMILESCN(Cc1nc(-c2ccccc2F)cs1)C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-15(12(16)17)6-11-14-10(7-18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVYPHBIQZJYAKLQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds3

About [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid

[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid (PubChem CID 68925488) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
PubChem CID68925488
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid
SMILESCN(Cc1nc(-c2ccccc2F)cs1)C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-15(12(16)17)6-11-14-10(7-18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyVYPHBIQZJYAKLQ-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid 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)-1,3-thiazol-2-yl]ethylcarbamic acid
CID 68925492
4-(2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969906
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine;hydrobromide
CID 127046715
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62647488
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63102619
N-[[4-(3-chloro-4-pyridinyl)-1,3-thiazol-2-yl]methyl]-N-methylbenzamide
CID 100639938
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566782
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
ethyl 1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
CID 58127819
[1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanamine
CID 116969377

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid?
The IUPAC name of [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid (CID 68925488) is [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid?
The canonical SMILES for [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid is CN(Cc1nc(-c2ccccc2F)cs1)C(=O)O.
What is the InChIKey of [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid?
The InChIKey is VYPHBIQZJYAKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(12(16)17)6-11-14-10(7-18-11)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid?
[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid has a molecular weight of 266.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 68925488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).