1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone

C17H19N3OS — CID 945941

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1ccc2c(C(=O)CNc3nc(C)c(C)s3)c(C)[nH]c2c1
InChIInChI=1S/C17H19N3OS/c1-9-5-6-13-14(7-9)19-11(3)16(13)15(21)8-18-17-20-10(2)12(4)22-17/h5-7,19H,8H2,1-4H3,(H,18,20)
InChIKeyMJCQEJYXJVXRMK-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone

1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone (PubChem CID 945941) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone
PubChem CID945941
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone
SMILESCc1ccc2c(C(=O)CNc3nc(C)c(C)s3)c(C)[nH]c2c1
InChIInChI=1S/C17H19N3OS/c1-9-5-6-13-14(7-9)19-11(3)16(13)15(21)8-18-17-20-10(2)12(4)22-17/h5-7,19H,8H2,1-4H3,(H,18,20)
InChIKeyMJCQEJYXJVXRMK-UHFFFAOYSA-N
XLogP4.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone (CID 945941) is 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone is Cc1ccc2c(C(=O)CNc3nc(C)c(C)s3)c(C)[nH]c2c1.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone?
The InChIKey is MJCQEJYXJVXRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-9-5-6-13-14(7-9)19-11(3)16(13)15(21)8-18-17-20-10(2)12(4)22-17/h5-7,19H,8H2,1-4H3,(H,18,20).
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone has a molecular weight of 313.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone is sourced from PubChem (CID 945941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).