1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C22H23N5O3S — CID 42813255

IUPAC1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCCC3C(=O)NCc3ccccn3)cs2)cc1
InChIInChI=1S/C22H23N5O3S/c1-30-17-9-7-15(8-10-17)25-22-26-18(14-31-22)21(29)27-12-4-6-19(27)20(28)24-13-16-5-2-3-11-23-16/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyUJMYUQNNJNXWOZ-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.21
Rot. Bonds7

About 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 42813255) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID42813255
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N3CCCC3C(=O)NCc3ccccn3)cs2)cc1
InChIInChI=1S/C22H23N5O3S/c1-30-17-9-7-15(8-10-17)25-22-26-18(14-31-22)21(29)27-12-4-6-19(27)20(28)24-13-16-5-2-3-11-23-16/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3,(H,24,28)(H,25,26)
InChIKeyUJMYUQNNJNXWOZ-UHFFFAOYSA-N
XLogP3.21
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42813146
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42813186
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 90488367
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
N-(2-methoxyethyl)-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42813279
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 42795710
(2S)-1-[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93143143
1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 42822388
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 95784052
(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 93140596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 42813255) is 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is COc1ccc(Nc2nc(C(=O)N3CCCC3C(=O)NCc3ccccn3)cs2)cc1.
What is the InChIKey of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UJMYUQNNJNXWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-30-17-9-7-15(8-10-17)25-22-26-18(14-31-22)21(29)27-12-4-6-19(27)20(28)24-13-16-5-2-3-11-23-16/h2-3,5,7-11,14,19H,4,6,12-13H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42813255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).