(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

C19H17FN2O2S — CID 32622848

IUPAC(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H17FN2O2S/c1-12-5-3-8-16(9-12)24-13(2)18(23)22-19-21-17(11-25-19)14-6-4-7-15(20)10-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m0/s1
InChIKeyKITAQEZOEPVBAT-ZDUSSCGKSA-N
MW356.42 g/mol
LogP4.66
Rot. Bonds5

About (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide

(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (PubChem CID 32622848) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
PubChem CID32622848
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1
InChIInChI=1S/C19H17FN2O2S/c1-12-5-3-8-16(9-12)24-13(2)18(23)22-19-21-17(11-25-19)14-6-4-7-15(20)10-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m0/s1
InChIKeyKITAQEZOEPVBAT-ZDUSSCGKSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2496684
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide (CID 32622848) is (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3cccc(F)c3)cs2)c1.
What is the InChIKey of (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
The InChIKey is KITAQEZOEPVBAT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12-5-3-8-16(9-12)24-13(2)18(23)22-19-21-17(11-25-19)14-6-4-7-15(20)10-14/h3-11,13H,1-2H3,(H,21,22,23)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide?
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide has a molecular weight of 356.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 32622848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).