2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C22H22N4OS2 — CID 90601675

IUPAC2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H22N4OS2/c1-24-13-17(18-4-2-3-5-20(18)24)12-21(27)25-7-9-26(10-8-25)22-23-19(15-29-22)16-6-11-28-14-16/h2-6,11,13-15H,7-10,12H2,1H3
InChIKeyCEPBBKPFKLNRAK-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.25
Rot. Bonds4

About 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 90601675) has the molecular formula C22H22N4OS2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID90601675
Molecular FormulaC22H22N4OS2
Molecular Weight422.58 g/mol
Exact Mass422.12
IUPAC Name2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCn1cc(CC(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c2ccccc21
InChIInChI=1S/C22H22N4OS2/c1-24-13-17(18-4-2-3-5-20(18)24)12-21(27)25-7-9-26(10-8-25)22-23-19(15-29-22)16-6-11-28-14-16/h2-6,11,13-15H,7-10,12H2,1H3
InChIKeyCEPBBKPFKLNRAK-UHFFFAOYSA-N
XLogP4.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601687
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 90601680
4-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 154581617
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 71811050
methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71811046
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 90601675) is 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cn1cc(CC(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CEPBBKPFKLNRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS2/c1-24-13-17(18-4-2-3-5-20(18)24)12-21(27)25-7-9-26(10-8-25)22-23-19(15-29-22)16-6-11-28-14-16/h2-6,11,13-15H,7-10,12H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 422.58 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90601675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).