4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C18H22N4S — CID 77080763

IUPAC4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(Cc3cccc4cc[nH]c34)CC2)cs1
InChIInChI=1S/C18H22N4S/c1-14-20-17(13-23-14)12-22-9-7-21(8-10-22)11-16-4-2-3-15-5-6-19-18(15)16/h2-6,13,19H,7-12H2,1H3
InChIKeyPLPIRDIWNLTFOG-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.25
Rot. Bonds4

About 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 77080763) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID77080763
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(Cc3cccc4cc[nH]c34)CC2)cs1
InChIInChI=1S/C18H22N4S/c1-14-20-17(13-23-14)12-22-9-7-21(8-10-22)11-16-4-2-3-15-5-6-19-18(15)16/h2-6,13,19H,7-12H2,1H3
InChIKeyPLPIRDIWNLTFOG-UHFFFAOYSA-N
XLogP3.25
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

7-[[4-(2-methylsulfinylethyl)piperazin-1-yl]methyl]-1H-indole
CID 75496982
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171910706
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155799116

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 77080763) is 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(Cc3cccc4cc[nH]c34)CC2)cs1.
What is the InChIKey of 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is PLPIRDIWNLTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-14-20-17(13-23-14)12-22-9-7-21(8-10-22)11-16-4-2-3-15-5-6-19-18(15)16/h2-6,13,19H,7-12H2,1H3.
What are the key properties of 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 326.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 77080763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).