(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C21H20N4O2S2 — CID 71811081

IUPAC(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4nc(-c5ccsc5)cs4)CC3)[nH]c2c1
InChIInChI=1S/C21H20N4O2S2/c1-27-16-3-2-14-10-18(22-17(14)11-16)20(26)24-5-7-25(8-6-24)21-23-19(13-29-21)15-4-9-28-12-15/h2-4,9-13,22H,5-8H2,1H3
InChIKeyJOMAKCYRJPQLMW-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.32
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 71811081) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID71811081
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(c4nc(-c5ccsc5)cs4)CC3)[nH]c2c1
InChIInChI=1S/C21H20N4O2S2/c1-27-16-3-2-14-10-18(22-17(14)11-16)20(26)24-5-7-25(8-6-24)21-23-19(13-29-21)15-4-9-28-12-15/h2-4,9-13,22H,5-8H2,1H3
InChIKeyJOMAKCYRJPQLMW-UHFFFAOYSA-N
XLogP4.32
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 71811081) is (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is COc1ccc2cc(C(=O)N3CCN(c4nc(-c5ccsc5)cs4)CC3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is JOMAKCYRJPQLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-27-16-3-2-14-10-18(22-17(14)11-16)20(26)24-5-7-25(8-6-24)21-23-19(13-29-21)15-4-9-28-12-15/h2-4,9-13,22H,5-8H2,1H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71811081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).