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

C19H24N4S — CID 171910706

IUPAC4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(CCc3c[nH]c4ccccc34)CC2)cs1
InChIInChI=1S/C19H24N4S/c1-15-21-17(14-24-15)13-23-10-8-22(9-11-23)7-6-16-12-20-19-5-3-2-4-18(16)19/h2-5,12,14,20H,6-11,13H2,1H3
InChIKeyVLIDQTVPGTWSBT-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.29
Rot. Bonds5

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

4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 171910706) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID171910706
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(CCc3c[nH]c4ccccc34)CC2)cs1
InChIInChI=1S/C19H24N4S/c1-15-21-17(14-24-15)13-23-10-8-22(9-11-23)7-6-16-12-20-19-5-3-2-4-18(16)19/h2-5,12,14,20H,6-11,13H2,1H3
InChIKeyVLIDQTVPGTWSBT-UHFFFAOYSA-N
XLogP3.29
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[(2R,3R)-2,3-dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 166617917
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
methyl 3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole-6-carboxylate
CID 3421497
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
4-[[4-(1H-indol-7-ylmethyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77080763
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxamide
CID 92633597

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 171910706) is 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(CCc3c[nH]c4ccccc34)CC2)cs1.
What is the InChIKey of 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is VLIDQTVPGTWSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-15-21-17(14-24-15)13-23-10-8-22(9-11-23)7-6-16-12-20-19-5-3-2-4-18(16)19/h2-5,12,14,20H,6-11,13H2,1H3.
What are the key properties of 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 340.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 171910706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).