1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one

C13H12N2OS — CID 9398573

IUPAC1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1
InChIInChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3
InChIKeyZBEXFNOIOKBKIV-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds1

About 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one

1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one (PubChem CID 9398573) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one
PubChem CID9398573
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1
InChIInChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3
InChIKeyZBEXFNOIOKBKIV-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-6-(2-methyl-4-thiazolyl)-2(1H)-quinolinone
CID 2801266
5-[2-(4-Fluoro-2-methylphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 73387018
5-(2-Amino-4-thiazolyl)-1,3-dihydro-2H-indol-2-one
CID 2608761
1-[5-(2-Amino-thiazol-4-yl)-2-methyl-2,3-dihydro-indol-1-yl]-butan-1-one
CID 646828
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-propan-1-one
CID 649679
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-butan-1-one
CID 651655
1-[5-(2-Amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone
CID 655441
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 2701305
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2,2-dimethyl-propan-1-one
CID 3231177
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4437083
2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 4833625
1-{[(4-Phenyl-1,3-thiazol-2-yl)thio]acetyl}indoline
CID 1263943

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one (CID 9398573) is 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one is Cc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1.
What is the InChIKey of 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one?
The InChIKey is ZBEXFNOIOKBKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one?
1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one has a molecular weight of 244.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one is sourced from PubChem (CID 9398573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).