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

C15H15N3OS — CID 914378

IUPAC1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1csc(NCC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)16-7-13(19)14-10(2)18-12-6-4-3-5-11(12)14/h3-6,8,18H,7H2,1-2H3,(H,16,17)
InChIKeyHVRGECWKFHFVHP-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.54
Rot. Bonds4

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

1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (PubChem CID 914378) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
PubChem CID914378
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1csc(NCC(=O)c2c(C)[nH]c3ccccc23)n1
InChIInChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)16-7-13(19)14-10(2)18-12-6-4-3-5-11(12)14/h3-6,8,18H,7H2,1-2H3,(H,16,17)
InChIKeyHVRGECWKFHFVHP-UHFFFAOYSA-N
XLogP3.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone (CID 914378) is 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is Cc1csc(NCC(=O)c2c(C)[nH]c3ccccc23)n1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
The InChIKey is HVRGECWKFHFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-8-20-15(17-9)16-7-13(19)14-10(2)18-12-6-4-3-5-11(12)14/h3-6,8,18H,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone?
1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone has a molecular weight of 285.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone is sourced from PubChem (CID 914378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).