N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide

C18H22FN3O3S2 — CID 164896241

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H22FN3O3S2/c1-18(7-9-22(10-8-18)27(2,24)25)16(23)21-17-20-12-14(26-17)11-13-5-3-4-6-15(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,21,23)
InChIKeySGUXDLKIIYYEED-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.87
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 164896241) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID164896241
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H22FN3O3S2/c1-18(7-9-22(10-8-18)27(2,24)25)16(23)21-17-20-12-14(26-17)11-13-5-3-4-6-15(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,21,23)
InChIKeySGUXDLKIIYYEED-UHFFFAOYSA-N
XLogP2.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 167327128
N-[5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxetane-3-carboxamide
CID 167327143
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956531
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 58610007
3-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122093542
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 164896241) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide is CC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is SGUXDLKIIYYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-18(7-9-22(10-8-18)27(2,24)25)16(23)21-17-20-12-14(26-17)11-13-5-3-4-6-15(13)19/h3-6,12H,7-11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 164896241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).