(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate

C15H11FN2O2S — CID 65348499

IUPAC(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESNc1nc2ccc(C(=O)OCc3ccccc3F)cc2s1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-2-1-3-10(11)8-20-14(19)9-5-6-12-13(7-9)21-15(17)18-12/h1-7H,8H2,(H2,17,18)
InChIKeyDJJQGYNINIPSCM-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.37
Rot. Bonds3

About (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate

(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate (PubChem CID 65348499) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate
PubChem CID65348499
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate
SMILESNc1nc2ccc(C(=O)OCc3ccccc3F)cc2s1
InChIInChI=1S/C15H11FN2O2S/c16-11-4-2-1-3-10(11)8-20-14(19)9-5-6-12-13(7-9)21-15(17)18-12/h1-7H,8H2,(H2,17,18)
InChIKeyDJJQGYNINIPSCM-UHFFFAOYSA-N
XLogP3.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate 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-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
ethyl 2-amino-1,3-benzothiazole-6-carboxylate;methanimine
CID 164572058
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
2-propoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348498
2-propan-2-yloxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 65348925
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
(2-fluorophenyl)methyl 3-cyanobenzoate
CID 2626137
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
(2-fluorophenyl)methyl 3-fluoro-4-nitrobenzoate
CID 63118911
(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-amino-1,3-benzothiazole-6-carboxylate
CID 40690254

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate (CID 65348499) is (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate is Nc1nc2ccc(C(=O)OCc3ccccc3F)cc2s1.
What is the InChIKey of (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate?
The InChIKey is DJJQGYNINIPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-4-2-1-3-10(11)8-20-14(19)9-5-6-12-13(7-9)21-15(17)18-12/h1-7H,8H2,(H2,17,18).
What are the key properties of (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate?
(2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-amino-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 65348499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).