5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C20H27N5OS — CID 120767446

IUPAC5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccccc1C1CNCCN1Cc1c(C(C)C)nc2sc(C)nn12
InChIInChI=1S/C20H27N5OS/c1-13(2)19-17(25-20(22-19)27-14(3)23-25)12-24-10-9-21-11-16(24)15-7-5-6-8-18(15)26-4/h5-8,13,16,21H,9-12H2,1-4H3
InChIKeyIBQKRFAGJIJVEL-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.38
Rot. Bonds5

About 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole

5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 120767446) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID120767446
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccccc1C1CNCCN1Cc1c(C(C)C)nc2sc(C)nn12
InChIInChI=1S/C20H27N5OS/c1-13(2)19-17(25-20(22-19)27-14(3)23-25)12-24-10-9-21-11-16(24)15-7-5-6-8-18(15)26-4/h5-8,13,16,21H,9-12H2,1-4H3
InChIKeyIBQKRFAGJIJVEL-UHFFFAOYSA-N
XLogP3.38
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 120753675
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 120753387
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 120767446) is 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is COc1ccccc1C1CNCCN1Cc1c(C(C)C)nc2sc(C)nn12.
What is the InChIKey of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is IBQKRFAGJIJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-13(2)19-17(25-20(22-19)27-14(3)23-25)12-24-10-9-21-11-16(24)15-7-5-6-8-18(15)26-4/h5-8,13,16,21H,9-12H2,1-4H3.
What are the key properties of 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 385.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 120767446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).