1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone

C15H15N3O2S — CID 3811191

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(18-9)17-7-14(19)12-6-16-13-4-3-10(20-2)5-11(12)13/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyRQNGOUSHTRNNBP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.24
Rot. Bonds5

About 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone

1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (PubChem CID 3811191) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
PubChem CID3811191
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1
InChIInChI=1S/C15H15N3O2S/c1-9-8-21-15(18-9)17-7-14(19)12-6-16-13-4-3-10(20-2)5-11(12)13/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyRQNGOUSHTRNNBP-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (CID 3811191) is 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is COc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The InChIKey is RQNGOUSHTRNNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-8-21-15(18-9)17-7-14(19)12-6-16-13-4-3-10(20-2)5-11(12)13/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone has a molecular weight of 301.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is sourced from PubChem (CID 3811191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).