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

C18H17FN2O2S — CID 35122221

IUPAC(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-3-14(23-15-7-5-4-6-12(15)19)17(22)21-18-20-13-9-8-11(2)10-16(13)24-18/h4-10,14H,3H2,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyZMNHLLXDZQSKSX-AWEZNQCLSA-N
MW344.41 g/mol
LogP4.54
Rot. Bonds5

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

(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 35122221) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID35122221
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-3-14(23-15-7-5-4-6-12(15)19)17(22)21-18-20-13-9-8-11(2)10-16(13)24-18/h4-10,14H,3H2,1-2H3,(H,20,21,22)/t14-/m0/s1
InChIKeyZMNHLLXDZQSKSX-AWEZNQCLSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 681042
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 2948680
2-(2-fluorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 44791669
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 24627839
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
2-(2-fluorophenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133184799
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (CID 35122221) is (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is ZMNHLLXDZQSKSX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-14(23-15-7-5-4-6-12(15)19)17(22)21-18-20-13-9-8-11(2)10-16(13)24-18/h4-10,14H,3H2,1-2H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 344.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 35122221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).