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

C17H20N4S — CID 97159618

IUPAC6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cccc([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1
InChIInChI=1S/C17H20N4S/c1-12-5-3-6-14(18-12)15-7-4-8-20(15)11-16-13(2)19-17-21(16)9-10-22-17/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m0/s1
InChIKeyUESQHNWSSWSOSS-HNNXBMFYSA-N
MW312.44 g/mol
LogP3.74
Rot. Bonds3

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

6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 97159618) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID97159618
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cccc([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1
InChIInChI=1S/C17H20N4S/c1-12-5-3-6-14(18-12)15-7-4-8-20(15)11-16-13(2)19-17-21(16)9-10-22-17/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m0/s1
InChIKeyUESQHNWSSWSOSS-HNNXBMFYSA-N
XLogP3.74
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-[[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124985381
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-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124993751
6-methyl-5-[[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 124955189
N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 97159631
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
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
CID 42196859
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
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 124874423
2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 75439356

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 97159618) is 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1cccc([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1.
What is the InChIKey of 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is UESQHNWSSWSOSS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12-5-3-6-14(18-12)15-7-4-8-20(15)11-16-13(2)19-17-21(16)9-10-22-17/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 312.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 97159618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).