(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide

C19H17FN2O2S — CID 9094325

IUPAC(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCc1sc(NC(=O)[C@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c1-12(24-16-6-4-3-5-7-16)18(23)22-19-21-17(13(2)25-19)14-8-10-15(20)11-9-14/h3-12H,1-2H3,(H,21,22,23)/t12-/m0/s1
InChIKeyIKEYFITUXJNUGX-LBPRGKRZSA-N
MW356.42 g/mol
LogP4.66
Rot. Bonds5

About (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide

(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (PubChem CID 9094325) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
PubChem CID9094325
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCc1sc(NC(=O)[C@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2S/c1-12(24-16-6-4-3-5-7-16)18(23)22-19-21-17(13(2)25-19)14-8-10-15(20)11-9-14/h3-12H,1-2H3,(H,21,22,23)/t12-/m0/s1
InChIKeyIKEYFITUXJNUGX-LBPRGKRZSA-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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 19203493
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide (CID 9094325) is (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is Cc1sc(NC(=O)[C@H](C)Oc2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is IKEYFITUXJNUGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-12(24-16-6-4-3-5-7-16)18(23)22-19-21-17(13(2)25-19)14-8-10-15(20)11-9-14/h3-12H,1-2H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide?
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide 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-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 9094325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).