N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C18H15FN2OS — CID 138504671

IUPACN-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C18H15FN2OS/c1-10-3-2-4-13(19)16(10)12-7-8-14-15(9-12)23-18(20-14)21-17(22)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,21,22)
InChIKeyMSQUTPWXSWSBNX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.76
Rot. Bonds3

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

N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 138504671) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
PubChem CID138504671
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
SMILESCc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C18H15FN2OS/c1-10-3-2-4-13(19)16(10)12-7-8-14-15(9-12)23-18(20-14)21-17(22)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,21,22)
InChIKeyMSQUTPWXSWSBNX-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 138504671) is N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is Cc1cccc(F)c1-c1ccc2nc(NC(=O)C3CC3)sc2c1.
What is the InChIKey of N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is MSQUTPWXSWSBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-10-3-2-4-13(19)16(10)12-7-8-14-15(9-12)23-18(20-14)21-17(22)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,20,21,22).
What are the key properties of N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?
N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 326.40 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138504671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).