[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C15H15N5OS — CID 124976468

IUPAC[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC[C@H](c3ncn4ccsc34)C2)cn1
InChIInChI=1S/C15H15N5OS/c1-10-6-17-12(7-16-10)14(21)19-3-2-11(8-19)13-15-20(9-18-13)4-5-22-15/h4-7,9,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyLFPJCUGUQTWKPY-NSHDSACASA-N
MW313.39 g/mol
LogP2.12
Rot. Bonds2

About [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 124976468) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID124976468
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC[C@H](c3ncn4ccsc34)C2)cn1
InChIInChI=1S/C15H15N5OS/c1-10-6-17-12(7-16-10)14(21)19-3-2-11(8-19)13-15-20(9-18-13)4-5-22-15/h4-7,9,11H,2-3,8H2,1H3/t11-/m0/s1
InChIKeyLFPJCUGUQTWKPY-NSHDSACASA-N
XLogP2.12
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124984909
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
[3-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 127249016
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92627535
(5-methylpyrazin-2-yl)-[3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 46973257
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 124976468) is [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CC[C@H](c3ncn4ccsc34)C2)cn1.
What is the InChIKey of [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is LFPJCUGUQTWKPY-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5OS/c1-10-6-17-12(7-16-10)14(21)19-3-2-11(8-19)13-15-20(9-18-13)4-5-22-15/h4-7,9,11H,2-3,8H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 313.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 124976468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).