N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide

C17H20FN3OS — CID 24593653

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C17H20FN3OS/c1-12-3-2-8-21(9-12)10-16(22)20-17-19-15(11-23-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,20,22)
InChIKeyXXFQDWSEAKDVLH-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.62
Rot. Bonds4

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 24593653) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID24593653
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C17H20FN3OS/c1-12-3-2-8-21(9-12)10-16(22)20-17-19-15(11-23-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,20,22)
InChIKeyXXFQDWSEAKDVLH-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 87017765
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55626130
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437111
2-(3-methylpiperidin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 46807539
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817076
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide (CID 24593653) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is XXFQDWSEAKDVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-12-3-2-8-21(9-12)10-16(22)20-17-19-15(11-23-17)13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,20,22).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 24593653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).