1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

C14H13N3OS — CID 912279

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNc1nccs1
InChIInChI=1S/C14H13N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyYYPROXBGTVQYNC-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (PubChem CID 912279) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
PubChem CID912279
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CNc1nccs1
InChIInChI=1S/C14H13N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyYYPROXBGTVQYNC-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.23
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-(1,3-thiazol-2-ylamino)ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (CID 912279) is 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone is Cc1[nH]c2ccccc2c1C(=O)CNc1nccs1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The InChIKey is YYPROXBGTVQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-13(10-4-2-3-5-11(10)17-9)12(18)8-16-14-15-6-7-19-14/h2-7,17H,8H2,1H3,(H,15,16).
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
1-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone has a molecular weight of 271.34 g/mol, XLogP of 3.23, 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-(1,3-thiazol-2-ylamino)ethanone is sourced from PubChem (CID 912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).