2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

C18H15FN2O2S — CID 138504832

IUPAC2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(O)cccc1-c1ccc2nc(NC(=O)C3CC3F)sc2c1
InChIInChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)
InChIKeyMBGWSLGJUQDACI-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds3

About 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide

2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 138504832) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID138504832
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(O)cccc1-c1ccc2nc(NC(=O)C3CC3F)sc2c1
InChIInChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)
InChIKeyMBGWSLGJUQDACI-UHFFFAOYSA-N
XLogP4.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide 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 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (CID 138504832) is 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is Cc1c(O)cccc1-c1ccc2nc(NC(=O)C3CC3F)sc2c1.
What is the InChIKey of 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MBGWSLGJUQDACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23).
What are the key properties of 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138504832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).