(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

C16H11Cl2FN2O2S — CID 2204293

IUPAC(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FN2O2S/c1-8(23-13-5-2-9(17)6-11(13)18)15(22)21-16-20-12-4-3-10(19)7-14(12)24-16/h2-8H,1H3,(H,20,21,22)/t8-/m0/s1
InChIKeyNDZNZLXFRFJMJT-QMMMGPOBSA-N
MW385.25 g/mol
LogP5.15
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide

(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2204293) has the molecular formula C16H11Cl2FN2O2S and a molecular weight of 385.25 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
PubChem CID2204293
Molecular FormulaC16H11Cl2FN2O2S
Molecular Weight385.25 g/mol
Exact Mass383.99
IUPAC Name(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H11Cl2FN2O2S/c1-8(23-13-5-2-9(17)6-11(13)18)15(22)21-16-20-12-4-3-10(19)7-14(12)24-16/h2-8H,1H3,(H,20,21,22)/t8-/m0/s1
InChIKeyNDZNZLXFRFJMJT-QMMMGPOBSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
2-(2-chloro-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 19591228
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1291639
N'-[2-(2,4-dichlorophenoxy)propanoyl]-2-(4-fluorophenoxy)propanehydrazide
CID 43004127
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide (CID 2204293) is (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is NDZNZLXFRFJMJT-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2S/c1-8(23-13-5-2-9(17)6-11(13)18)15(22)21-16-20-12-4-3-10(19)7-14(12)24-16/h2-8H,1H3,(H,20,21,22)/t8-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide?
(2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 385.25 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2204293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).