6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C15H17N5S — CID 124985381

IUPAC6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCC[C@H]1c1cnccn1
InChIInChI=1S/C15H17N5S/c1-11-14(20-7-8-21-15(20)18-11)10-19-6-2-3-13(19)12-9-16-4-5-17-12/h4-5,7-9,13H,2-3,6,10H2,1H3/t13-/m0/s1
InChIKeyNRKDFPRAPXUQQJ-ZDUSSCGKSA-N
MW299.40 g/mol
LogP2.83
Rot. Bonds3

About 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 124985381) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID124985381
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCC[C@H]1c1cnccn1
InChIInChI=1S/C15H17N5S/c1-11-14(20-7-8-21-15(20)18-11)10-19-6-2-3-13(19)12-9-16-4-5-17-12/h4-5,7-9,13H,2-3,6,10H2,1H3/t13-/m0/s1
InChIKeyNRKDFPRAPXUQQJ-ZDUSSCGKSA-N
XLogP2.83
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
6-methyl-5-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124993751
6-methyl-5-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124993750
6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124955189
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
1-[(3aR,8aR)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-1-yl]ethanone
CID 110136278
azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45203962
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 110103097
azocan-1-yl-[5-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45182905
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
4-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 124946594

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 124985381) is 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CN1CCC[C@H]1c1cnccn1.
What is the InChIKey of 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NRKDFPRAPXUQQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11-14(20-7-8-21-15(20)18-11)10-19-6-2-3-13(19)12-9-16-4-5-17-12/h4-5,7-9,13H,2-3,6,10H2,1H3/t13-/m0/s1.
What are the key properties of 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 299.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 124985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).