(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide

C22H19FN4O3S2 — CID 41042075

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3S2/c23-16-5-9-18(10-6-16)32(29,30)27-11-1-2-20(27)21(28)24-17-7-3-15(4-8-17)19-14-26-12-13-31-22(26)25-19/h3-10,12-14,20H,1-2,11H2,(H,24,28)/t20-/m1/s1
InChIKeyQDNOVRUBMSWUQL-HXUWFJFHSA-N
MW470.55 g/mol
LogP3.99
Rot. Bonds5

About (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 41042075) has the molecular formula C22H19FN4O3S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID41042075
Molecular FormulaC22H19FN4O3S2
Molecular Weight470.55 g/mol
Exact Mass470.09
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O3S2/c23-16-5-9-18(10-6-16)32(29,30)27-11-1-2-20(27)21(28)24-17-7-3-15(4-8-17)19-14-26-12-13-31-22(26)25-19/h3-10,12-14,20H,1-2,11H2,(H,24,28)/t20-/m1/s1
InChIKeyQDNOVRUBMSWUQL-HXUWFJFHSA-N
XLogP3.99
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 92887637
(2S)-N-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8744138
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34739366
(2R)-N-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865501
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 40797428
(2S)-N-(4-fluorophenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614841
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide (CID 41042075) is (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is QDNOVRUBMSWUQL-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19FN4O3S2/c23-16-5-9-18(10-6-16)32(29,30)27-11-1-2-20(27)21(28)24-17-7-3-15(4-8-17)19-14-26-12-13-31-22(26)25-19/h3-10,12-14,20H,1-2,11H2,(H,24,28)/t20-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 41042075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).