[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone

C23H21N5OS — CID 95832670

IUPAC[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESCc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1
InChIInChI=1S/C23H21N5OS/c1-15-13-16(27-23-25-10-12-30-23)14-20(26-15)21-8-4-11-28(21)22(29)18-5-2-7-19-17(18)6-3-9-24-19/h2-3,5-7,9-10,12-14,21H,4,8,11H2,1H3,(H,25,26,27)/t21-/m0/s1
InChIKeyCUTSXRYYAINDRN-NRFANRHFSA-N
MW415.52 g/mol
LogP5.12
Rot. Bonds4

About [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone

[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 95832670) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
PubChem CID95832670
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
SMILESCc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1
InChIInChI=1S/C23H21N5OS/c1-15-13-16(27-23-25-10-12-30-23)14-20(26-15)21-8-4-11-28(21)22(29)18-5-2-7-19-17(18)6-3-9-24-19/h2-3,5-7,9-10,12-14,21H,4,8,11H2,1H3,(H,25,26,27)/t21-/m0/s1
InChIKeyCUTSXRYYAINDRN-NRFANRHFSA-N
XLogP5.12
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

2-methoxy-2-methyl-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95832841
N-[2-methyl-6-[1-(quinolin-5-ylmethyl)pyrrolidin-3-yl]-4-pyridinyl]-1,3-thiazol-2-amine
CID 110093562
quinolin-8-yl-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835272
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832847
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124982262
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95832696
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110103671
(2-methyl-1,3-benzothiazol-6-yl)-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95832735

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone (CID 95832670) is [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone is Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1.
What is the InChIKey of [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is CUTSXRYYAINDRN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15-13-16(27-23-25-10-12-30-23)14-20(26-15)21-8-4-11-28(21)22(29)18-5-2-7-19-17(18)6-3-9-24-19/h2-3,5-7,9-10,12-14,21H,4,8,11H2,1H3,(H,25,26,27)/t21-/m0/s1.
What are the key properties of [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone?
[(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 415.52 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 95832670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).