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

C18H15FN2O2S — CID 175468844

IUPAC(1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3CC3F)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)/t12-,13?/m1/s1
InChIKeyMBGWSLGJUQDACI-PZORYLMUSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds3

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

(1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 175468844) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID175468844
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name(1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3CC3F)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)/t12-,13?/m1/s1
InChIKeyMBGWSLGJUQDACI-PZORYLMUSA-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 (1S)-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 (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide (CID 175468844) is (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3CC3F)sc2c1.
What is the InChIKey of (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is MBGWSLGJUQDACI-PZORYLMUSA-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)/t12-,13?/m1/s1.
What are the key properties of (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide?
(1S)-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 (1S)-2-fluoro-N-[6-(3-hydroxy-2-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175468844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).