(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C17H15FN2O2S — CID 7742007

IUPAC(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2s1
InChIInChI=1S/C17H15FN2O2S/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-15-16(9-13)23-11(2)19-15/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyZQPQSELAGMNYPP-JTQLQIEISA-N
MW330.38 g/mol
LogP4.15
Rot. Bonds4

About (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 7742007) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID7742007
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2s1
InChIInChI=1S/C17H15FN2O2S/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-15-16(9-13)23-11(2)19-15/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1
InChIKeyZQPQSELAGMNYPP-JTQLQIEISA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7734043
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
(2R)-2-(4-fluorophenoxy)-N-naphthalen-2-ylpropanamide
CID 887383
(2R)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 42278690
N-(3,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 21173898
(2R)-2-(4-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 26218148
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 7742007) is (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(F)cc3)cc2s1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is ZQPQSELAGMNYPP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-15-16(9-13)23-11(2)19-15/h3-10H,1-2H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 330.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 7742007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).