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

C27H28N4O2S — CID 60526171

IUPAC1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)s2)cc1
InChIInChI=1S/C27H28N4O2S/c1-3-19-8-10-20(11-9-19)26-29-18(2)25(34-26)27(33)31-14-12-30(13-15-31)24(32)16-21-17-28-23-7-5-4-6-22(21)23/h4-11,17,28H,3,12-16H2,1-2H3
InChIKeyZMKPYGNXFVJQHW-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.69
Rot. Bonds5

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

1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 60526171) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID60526171
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC Name1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)s2)cc1
InChIInChI=1S/C27H28N4O2S/c1-3-19-8-10-20(11-9-19)26-29-18(2)25(34-26)27(33)31-14-12-30(13-15-31)24(32)16-21-17-28-23-7-5-4-6-22(21)23/h4-11,17,28H,3,12-16H2,1-2H3
InChIKeyZMKPYGNXFVJQHW-UHFFFAOYSA-N
XLogP4.69
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55809686
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
2-(4-ethylphenyl)-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24513901
(4-benzylsulfonylpiperazin-1-yl)-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 27757478
2-(1H-indol-3-yl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 55809878
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718598
2-(1H-indol-3-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethanone
CID 122142015
1-[4-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 49377676
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46637225
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 60526171) is 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is CCc1ccc(-c2nc(C)c(C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)s2)cc1.
What is the InChIKey of 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is ZMKPYGNXFVJQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-3-19-8-10-20(11-9-19)26-29-18(2)25(34-26)27(33)31-14-12-30(13-15-31)24(32)16-21-17-28-23-7-5-4-6-22(21)23/h4-11,17,28H,3,12-16H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 472.61 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 60526171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).