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

C16H18FN3O3S2 — CID 43049392

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3O3S2/c1-25(22,23)20-9-3-2-4-14(20)15(21)19-16-18-13(10-24-16)11-5-7-12(17)8-6-11/h5-8,10,14H,2-4,9H2,1H3,(H,18,19,21)
InChIKeyPYFQUHRKUXWVEE-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.70
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 43049392) has the molecular formula C16H18FN3O3S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID43049392
Molecular FormulaC16H18FN3O3S2
Molecular Weight383.47 g/mol
Exact Mass383.08
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H18FN3O3S2/c1-25(22,23)20-9-3-2-4-14(20)15(21)19-16-18-13(10-24-16)11-5-7-12(17)8-6-11/h5-8,10,14H,2-4,9H2,1H3,(H,18,19,21)
InChIKeyPYFQUHRKUXWVEE-UHFFFAOYSA-N
XLogP2.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide (CID 43049392) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is PYFQUHRKUXWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S2/c1-25(22,23)20-9-3-2-4-14(20)15(21)19-16-18-13(10-24-16)11-5-7-12(17)8-6-11/h5-8,10,14H,2-4,9H2,1H3,(H,18,19,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 43049392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).