N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide

C16H17FN2O2S — CID 38273891

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCOCC1
InChIInChI=1S/C16H17FN2O2S/c17-14-4-2-1-3-13(14)11-19-7-10-22-16(19)18-15(20)12-5-8-21-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2/b18-16-
InChIKeyYUHBBHMNZSBFFF-VLGSPTGOSA-N
MW320.39 g/mol
LogP2.59
Rot. Bonds3

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide (PubChem CID 38273891) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
PubChem CID38273891
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
SMILESO=C(/N=c1\sccn1Cc1ccccc1F)C1CCOCC1
InChIInChI=1S/C16H17FN2O2S/c17-14-4-2-1-3-13(14)11-19-7-10-22-16(19)18-15(20)12-5-8-21-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2/b18-16-
InChIKeyYUHBBHMNZSBFFF-VLGSPTGOSA-N
XLogP2.59
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide
CID 38273564
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55575994
2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 119822782
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]furan-3-carboxamide
CID 38274326
1-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(2-morpholin-4-ylethyl)thiourea
CID 9096831
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 94824026
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3,5-dinitrobenzamide
CID 27676586
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
CID 134048931
N-(3-benzyl-1,3-thiazol-2-ylidene)-1-methylsulfonylpiperidine-4-carboxamide
CID 18209405
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(phenylcarbamoylamino)propanamide
CID 55388028
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 112827187

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide (CID 38273891) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide is O=C(/N=c1\sccn1Cc1ccccc1F)C1CCOCC1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide?
The InChIKey is YUHBBHMNZSBFFF-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-14-4-2-1-3-13(14)11-19-7-10-22-16(19)18-15(20)12-5-8-21-9-6-12/h1-4,7,10,12H,5-6,8-9,11H2/b18-16-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide is sourced from PubChem (CID 38273891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).