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

C17H20FN3O4S2 — CID 55777019

IUPACN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C17H20FN3O4S2/c1-25-15-7-6-11(18)9-12(15)13-10-26-17(19-13)20-16(22)14-5-3-4-8-21(14)27(2,23)24/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20,22)
InChIKeyPOLQBABTYZAVFM-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.71
Rot. Bonds5

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

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55777019) has the molecular formula C17H20FN3O4S2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55777019
Molecular FormulaC17H20FN3O4S2
Molecular Weight413.50 g/mol
Exact Mass413.09
IUPAC NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C17H20FN3O4S2/c1-25-15-7-6-11(18)9-12(15)13-10-26-17(19-13)20-16(22)14-5-3-4-8-21(14)27(2,23)24/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20,22)
InChIKeyPOLQBABTYZAVFM-UHFFFAOYSA-N
XLogP2.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 46629066
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093642
(2R)-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376198
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55722629
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
N-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91954705
(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53347923

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide (CID 55777019) is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide is COc1ccc(F)cc1-c1csc(NC(=O)C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is POLQBABTYZAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S2/c1-25-15-7-6-11(18)9-12(15)13-10-26-17(19-13)20-16(22)14-5-3-4-8-21(14)27(2,23)24/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55777019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).