N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide

C16H15FN4OS — CID 134048931

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)/N=c1\sccn1Cc1ccccc1F)n1cccn1
InChIInChI=1S/C16H15FN4OS/c1-12(21-8-4-7-18-21)15(22)19-16-20(9-10-23-16)11-13-5-2-3-6-14(13)17/h2-10,12H,11H2,1H3/b19-16-
InChIKeyXGTXXEOTTJKFQK-MNDPQUGUSA-N
MW330.39 g/mol
LogP2.62
Rot. Bonds4

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide (PubChem CID 134048931) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
PubChem CID134048931
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)/N=c1\sccn1Cc1ccccc1F)n1cccn1
InChIInChI=1S/C16H15FN4OS/c1-12(21-8-4-7-18-21)15(22)19-16-20(9-10-23-16)11-13-5-2-3-6-14(13)17/h2-10,12H,11H2,1H3/b19-16-
InChIKeyXGTXXEOTTJKFQK-MNDPQUGUSA-N
XLogP2.62
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide
CID 75477442
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]furan-3-carboxamide
CID 38274326
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]oxane-4-carboxamide
CID 38273891
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]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55575994
N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide
CID 38274070
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 112827187
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]-3-(phenylcarbamoylamino)propanamide
CID 55388028
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
CID 78845259
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide (CID 134048931) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide is CC(C(=O)/N=c1\sccn1Cc1ccccc1F)n1cccn1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide?
The InChIKey is XGTXXEOTTJKFQK-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-12(21-8-4-7-18-21)15(22)19-16-20(9-10-23-16)11-13-5-2-3-6-14(13)17/h2-10,12H,11H2,1H3/b19-16-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide has a molecular weight of 330.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).