2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide

C16H17FN2O3S — CID 95342216

IUPAC2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O3S/c17-12-6-4-11(5-7-12)9-14-18-10-13(23-14)16(20)19-22-15-3-1-2-8-21-15/h4-7,10,15H,1-3,8-9H2,(H,19,20)/t15-/m0/s1
InChIKeyHQHSGFFDJKETMR-HNNXBMFYSA-N
MW336.39 g/mol
LogP3.06
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide (PubChem CID 95342216) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
PubChem CID95342216
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O3S/c17-12-6-4-11(5-7-12)9-14-18-10-13(23-14)16(20)19-22-15-3-1-2-8-21-15/h4-7,10,15H,1-3,8-9H2,(H,19,20)/t15-/m0/s1
InChIKeyHQHSGFFDJKETMR-HNNXBMFYSA-N
XLogP3.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[6-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]-N-(oxan-2-yloxy)thiophene-2-carboxamide
CID 58657077
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
methyl 3-[[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]amino]butanoate
CID 56823982
1-[(4-fluorophenyl)methyl]-4-(3-hydroxypropyl)-N-(oxan-2-yloxy)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86602111
5-ethyl-N-(oxan-2-yloxy)furan-2-carboxamide
CID 60613092
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355806
N-(oxan-2-yloxy)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide
CID 58657065
2-[(4-fluorophenyl)methyl]-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 102557724
2-[(4-fluorophenyl)methyl]-N-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 99809689
N-[[4-(oxan-2-yloxycarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 51130706
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide (CID 95342216) is 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide is O=C(NO[C@H]1CCCCO1)c1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide?
The InChIKey is HQHSGFFDJKETMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-12-6-4-11(5-7-12)9-14-18-10-13(23-14)16(20)19-22-15-3-1-2-8-21-15/h4-7,10,15H,1-3,8-9H2,(H,19,20)/t15-/m0/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[(2S)-oxan-2-yl]oxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95342216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).