(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate

C15H10FNO2S — CID 7276691

IUPAC(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H10FNO2S/c16-12-4-1-10(2-5-12)8-19-15(18)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,8H2
InChIKeyLKRVRAHAEGWJMY-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.79
Rot. Bonds3

About (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate

(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate (PubChem CID 7276691) has the molecular formula C15H10FNO2S and a molecular weight of 287.31 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
PubChem CID7276691
Molecular FormulaC15H10FNO2S
Molecular Weight287.31 g/mol
Exact Mass287.04
IUPAC Name(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
SMILESO=C(OCc1ccc(F)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H10FNO2S/c16-12-4-1-10(2-5-12)8-19-15(18)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,8H2
InChIKeyLKRVRAHAEGWJMY-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)methyl 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

(3-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 18080757
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 18074324
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 18147223
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 4779917
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(2-chlorophenyl) 1,3-benzothiazole-6-carboxylate
CID 18075207
(2-bromophenyl) 1,3-benzothiazole-6-carboxylate
CID 18083330
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 42983019
(2-acetamido-2-oxoethyl) 1,3-benzothiazole-6-carboxylate
CID 2561880
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 8520615
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate?
The IUPAC name of (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate (CID 7276691) is (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate?
The canonical SMILES for (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate is O=C(OCc1ccc(F)cc1)c1ccc2ncsc2c1.
What is the InChIKey of (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate?
The InChIKey is LKRVRAHAEGWJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-12-4-1-10(2-5-12)8-19-15(18)11-3-6-13-14(7-11)20-9-17-13/h1-7,9H,8H2.
What are the key properties of (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate?
(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 7276691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).