[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C16H16N4OS — CID 124972218

IUPAC[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H]1c1cccc2nccn12
InChIInChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)16(21)20-8-3-5-13(20)12-4-2-6-14-17-7-9-19(12)14/h2,4,6-7,9-10,13H,3,5,8H2,1H3/t13-/m1/s1
InChIKeyKBLOCHHOFSVCMC-CYBMUJFWSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds2

About [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124972218) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124972218
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H]1c1cccc2nccn12
InChIInChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)16(21)20-8-3-5-13(20)12-4-2-6-14-17-7-9-19(12)14/h2,4,6-7,9-10,13H,3,5,8H2,1H3/t13-/m1/s1
InChIKeyKBLOCHHOFSVCMC-CYBMUJFWSA-N
XLogP3.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl)-phenylmethanone
CID 110100074
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
5-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]imidazo[1,2-a]pyridine
CID 124972240
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 125016408
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949266
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-N-phenylpyrimidine-5-carboxamide
CID 110247436

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124972218) is [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc2nccn12.
What is the InChIKey of [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is KBLOCHHOFSVCMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)16(21)20-8-3-5-13(20)12-4-2-6-14-17-7-9-19(12)14/h2,4,6-7,9-10,13H,3,5,8H2,1H3/t13-/m1/s1.
What are the key properties of [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 312.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124972218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).