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

C16H25N3S — CID 104688318

IUPAC2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(CC3(CC(C)C)CCCN3)c(C)nc2s1
InChIInChI=1S/C16H25N3S/c1-11(2)8-16(6-5-7-17-16)9-14-13(4)18-15-19(14)10-12(3)20-15/h10-11,17H,5-9H2,1-4H3
InChIKeyAMBXERKBBPXGAC-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.72
Rot. Bonds4

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

2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 104688318) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID104688318
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cn2c(CC3(CC(C)C)CCCN3)c(C)nc2s1
InChIInChI=1S/C16H25N3S/c1-11(2)8-16(6-5-7-17-16)9-14-13(4)18-15-19(14)10-12(3)20-15/h10-11,17H,5-9H2,1-4H3
InChIKeyAMBXERKBBPXGAC-UHFFFAOYSA-N
XLogP3.72
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

N-[2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl]-1,3-thiazol-2-amine
CID 175934566
1-(4,4-difluorocyclohexyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174092
1-(4,4-difluorocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174189
3-Fluoro-4-imidazo[2,1-b][1,3]thiazol-6-yl-2-propan-2-ylbutan-1-amine
CID 107443574
6-[(3-Fluoropyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 112564441
1,1-Difluoro-2-methyl-3-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}propan-2-amine
CID 165632610
1-(4,4-Difluoro-1-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}cyclohexyl)methanamine
CID 165855792
N-tert-butyl-6-cyclohexylimidazo[2,1-b][1,3]thiazol-5-amine
CID 22335586
5-Butan-2-yl-6-methylimidazo[2,1-b][1,3]thiazole
CID 91451654
6-Methyl-5-pentan-2-ylimidazo[2,1-b][1,3]thiazole
CID 123969423
3-Heptan-3-yl-2-pentan-3-ylimidazo[2,1-b][1,3]thiazole
CID 123974657
6-Tert-butyl-5-(2,3-dimethylbut-3-en-2-yl)imidazo[2,1-b][1,3]thiazole
CID 126680970

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 104688318) is 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1cn2c(CC3(CC(C)C)CCCN3)c(C)nc2s1.
What is the InChIKey of 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is AMBXERKBBPXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-11(2)8-16(6-5-7-17-16)9-14-13(4)18-15-19(14)10-12(3)20-15/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole?
2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 291.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 104688318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).