2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

C22H26N4O2S — CID 55809686

IUPAC2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4O2S/c1-14(2)21-24-15(3)20(29-21)22(28)26-10-8-25(9-11-26)19(27)12-16-13-23-18-7-5-4-6-17(16)18/h4-7,13-14,23H,8-12H2,1-3H3
InChIKeyIYCJZWZDSUEOSG-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.58
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 55809686) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID55809686
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4O2S/c1-14(2)21-24-15(3)20(29-21)22(28)26-10-8-25(9-11-26)19(27)12-16-13-23-18-7-5-4-6-17(16)18/h4-7,13-14,23H,8-12H2,1-3H3
InChIKeyIYCJZWZDSUEOSG-UHFFFAOYSA-N
XLogP3.58
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 60526171
2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 55809878
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
1-[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810437
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
2-(1H-indol-3-yl)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110815945
2-(1H-indol-3-yl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110807857
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(thieno[3,2-b][1]benzothiole-2-carbonyl)piperazin-1-yl]ethanone
CID 55809842
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 72896278

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (CID 55809686) is 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is Cc1nc(C(C)C)sc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is IYCJZWZDSUEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14(2)21-24-15(3)20(29-21)22(28)26-10-8-25(9-11-26)19(27)12-16-13-23-18-7-5-4-6-17(16)18/h4-7,13-14,23H,8-12H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 410.54 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55809686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).