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

C15H16FN3O3S2 — CID 46629066

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C15H16FN3O3S2/c1-24(21,22)19-7-3-6-13(19)14(20)18-15-17-12(9-23-15)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,17,18,20)
InChIKeyBLHTWAYCSORYNR-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.31
Rot. Bonds4

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 46629066) has the molecular formula C15H16FN3O3S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID46629066
Molecular FormulaC15H16FN3O3S2
Molecular Weight369.44 g/mol
Exact Mass369.06
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C15H16FN3O3S2/c1-24(21,22)19-7-3-6-13(19)14(20)18-15-17-12(9-23-15)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,17,18,20)
InChIKeyBLHTWAYCSORYNR-UHFFFAOYSA-N
XLogP2.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 27376259
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436246
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17435413
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
1-methylsulfonyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 43049397
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55777019
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
(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 46629066) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is BLHTWAYCSORYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S2/c1-24(21,22)19-7-3-6-13(19)14(20)18-15-17-12(9-23-15)10-4-2-5-11(16)8-10/h2,4-5,8-9,13H,3,6-7H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 2.31, 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-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46629066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).