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

C20H22N4O3S — CID 95213030

IUPAC(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(OC)c4)cn23)C1
InChIInChI=1S/C20H22N4O3S/c1-3-21-18(25)14-7-8-23(10-14)19(26)17-12-28-20-22-16(11-24(17)20)13-5-4-6-15(9-13)27-2/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyYNBOVNVQYFQUOV-AWEZNQCLSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

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

(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 95213030) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID95213030
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(OC)c4)cn23)C1
InChIInChI=1S/C20H22N4O3S/c1-3-21-18(25)14-7-8-23(10-14)19(26)17-12-28-20-22-16(11-24(17)20)13-5-4-6-15(9-13)27-2/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyYNBOVNVQYFQUOV-AWEZNQCLSA-N
XLogP2.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757014
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270073
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270075
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 29044557
6-(3-methoxyphenyl)-N-(6-methyl-2-pyridinyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270091
N-(2-methoxyphenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270820
N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
CID 126440042

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide (CID 95213030) is (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(OC)c4)cn23)C1.
What is the InChIKey of (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is YNBOVNVQYFQUOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-3-21-18(25)14-7-8-23(10-14)19(26)17-12-28-20-22-16(11-24(17)20)13-5-4-6-15(9-13)27-2/h4-6,9,11-12,14H,3,7-8,10H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 95213030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).