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

C20H18FN3O3S — CID 46629072

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN3O3S/c21-15-4-1-3-14(11-15)16-12-28-20(22-16)23-18(25)13-6-8-24(9-7-13)19(26)17-5-2-10-27-17/h1-5,10-13H,6-9H2,(H,22,23,25)
InChIKeyLJVZFDLXHPBRAO-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.03
Rot. Bonds4

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46629072) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID46629072
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18FN3O3S/c21-15-4-1-3-14(11-15)16-12-28-20(22-16)23-18(25)13-6-8-24(9-7-13)19(26)17-5-2-10-27-17/h1-5,10-13H,6-9H2,(H,22,23,25)
InChIKeyLJVZFDLXHPBRAO-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

1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227
1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 32622900
1-(furan-2-carbonyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 37019192
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16564148
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
N-[3-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55822951
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 39189511
1-(furan-3-carbonyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 35509215
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 46629066
1-(furan-2-carbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 6463050

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 46629072) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LJVZFDLXHPBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-15-4-1-3-14(11-15)16-12-28-20(22-16)23-18(25)13-6-8-24(9-7-13)19(26)17-5-2-10-27-17/h1-5,10-13H,6-9H2,(H,22,23,25).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)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 N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46629072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).