(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide

C18H17FN4O3S — CID 42286268

IUPAC(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)N4CCC[C@H]4C(N)=O)csc3n2)cc1F
InChIInChI=1S/C18H17FN4O3S/c1-26-15-5-4-10(7-11(15)19)12-8-23-14(9-27-18(23)21-12)17(25)22-6-2-3-13(22)16(20)24/h4-5,7-9,13H,2-3,6H2,1H3,(H2,20,24)/t13-/m0/s1
InChIKeyAFNUZHMBLMZQPB-ZDUSSCGKSA-N
MW388.42 g/mol
LogP2.30
Rot. Bonds4

About (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 42286268) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID42286268
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C(=O)N4CCC[C@H]4C(N)=O)csc3n2)cc1F
InChIInChI=1S/C18H17FN4O3S/c1-26-15-5-4-10(7-11(15)19)12-8-23-14(9-27-18(23)21-12)17(25)22-6-2-3-13(22)16(20)24/h4-5,7-9,13H,2-3,6H2,1H3,(H2,20,24)/t13-/m0/s1
InChIKeyAFNUZHMBLMZQPB-ZDUSSCGKSA-N
XLogP2.30
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42512545
(3-ethylpiperazin-1-yl)-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 56757554
6-(3-fluoro-4-methoxyphenyl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56754089
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 42197445
[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 45172039
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1-(3-chloro-5-methoxyisoquinoline-1-carbonyl)pyrrolidine-2-carboxamide
CID 154110196
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide (CID 42286268) is (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(-c2cn3c(C(=O)N4CCC[C@H]4C(N)=O)csc3n2)cc1F.
What is the InChIKey of (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is AFNUZHMBLMZQPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-26-15-5-4-10(7-11(15)19)12-8-23-14(9-27-18(23)21-12)17(25)22-6-2-3-13(22)16(20)24/h4-5,7-9,13H,2-3,6H2,1H3,(H2,20,24)/t13-/m0/s1.
What are the key properties of (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-(3-fluoro-4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42286268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).