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

C17H19N3OS — CID 9420001

IUPAC1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(N4CCCCC4)n3)ccc21
InChIInChI=1S/C17H19N3OS/c1-19-15-6-5-12(9-13(15)10-16(19)21)14-11-22-17(18-14)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyXDIIDQKNBIEILR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.32
Rot. Bonds2

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

1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one (PubChem CID 9420001) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
PubChem CID9420001
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(N4CCCCC4)n3)ccc21
InChIInChI=1S/C17H19N3OS/c1-19-15-6-5-12(9-13(15)10-16(19)21)14-11-22-17(18-14)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyXDIIDQKNBIEILR-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 60528907
2-cyclopentylidene-2-[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 9423030
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
2,3-dimethyl-6-(2-piperidin-1-yl-1,3-thiazol-4-yl)chromen-4-one
CID 15142771
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
CID 116900839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one (CID 9420001) is 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one is CN1C(=O)Cc2cc(-c3csc(N4CCCCC4)n3)ccc21.
What is the InChIKey of 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The InChIKey is XDIIDQKNBIEILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-19-15-6-5-12(9-13(15)10-16(19)21)14-11-22-17(18-14)20-7-3-2-4-8-20/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one has a molecular weight of 313.43 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one is sourced from PubChem (CID 9420001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).