1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H18FN3O3S — CID 51118376

IUPAC1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H18FN3O3S/c21-15-4-2-1-3-14(15)16-5-6-17(27-16)19(26)24-10-7-13(8-11-24)18(25)23-20-22-9-12-28-20/h1-6,9,12-13H,7-8,10-11H2,(H,22,23,25)
InChIKeyZXVVPCWBMDIFOT-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.03
Rot. Bonds4

About 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 51118376) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID51118376
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C20H18FN3O3S/c21-15-4-2-1-3-14(15)16-5-6-17(27-16)19(26)24-10-7-13(8-11-24)18(25)23-20-22-9-12-28-20/h1-6,9,12-13H,7-8,10-11H2,(H,22,23,25)
InChIKeyZXVVPCWBMDIFOT-UHFFFAOYSA-N
XLogP4.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
CID 167817476
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 51124075
1-(2-methylsulfanylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16828269
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
[5-(2-fluorophenyl)furan-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 167886745
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 52534338
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 51118376) is 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ZXVVPCWBMDIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-15-4-2-1-3-14(15)16-5-6-17(27-16)19(26)24-10-7-13(8-11-24)18(25)23-20-22-9-12-28-20/h1-6,9,12-13H,7-8,10-11H2,(H,22,23,25).
What are the key properties of 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)furan-2-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51118376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).