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

C18H21FN2O2S — CID 35256982

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](C)[C@@H]2CCCO2)s1
InChIInChI=1S/C18H21FN2O2S/c1-11(15-4-3-9-23-15)20-17(22)10-16-18(21-12(2)24-16)13-5-7-14(19)8-6-13/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,20,22)/t11-,15-/m0/s1
InChIKeyIYGLCHMIHAIWRS-NHYWBVRUSA-N
MW348.44 g/mol
LogP3.48
Rot. Bonds5

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

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (PubChem CID 35256982) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
PubChem CID35256982
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](C)[C@@H]2CCCO2)s1
InChIInChI=1S/C18H21FN2O2S/c1-11(15-4-3-9-23-15)20-17(22)10-16-18(21-12(2)24-16)13-5-7-14(19)8-6-13/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,20,22)/t11-,15-/m0/s1
InChIKeyIYGLCHMIHAIWRS-NHYWBVRUSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(2S)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 51499926
3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820
3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261814
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079330
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 43010055
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 55609661
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
N-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 8714276
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide (CID 35256982) is 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](C)[C@@H]2CCCO2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
The InChIKey is IYGLCHMIHAIWRS-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-11(15-4-3-9-23-15)20-17(22)10-16-18(21-12(2)24-16)13-5-7-14(19)8-6-13/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,20,22)/t11-,15-/m0/s1.
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide?
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide is sourced from PubChem (CID 35256982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).