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

C16H12N4OS — CID 60528907

IUPAC1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(-c4cnccn4)n3)ccc21
InChIInChI=1S/C16H12N4OS/c1-20-14-3-2-10(6-11(14)7-15(20)21)13-9-22-16(19-13)12-8-17-4-5-18-12/h2-6,8-9H,7H2,1H3
InChIKeyLDMXLIWKCIIXRK-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.79
Rot. Bonds2

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

1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one (PubChem CID 60528907) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
PubChem CID60528907
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3csc(-c4cnccn4)n3)ccc21
InChIInChI=1S/C16H12N4OS/c1-20-14-3-2-10(6-11(14)7-15(20)21)13-9-22-16(19-13)12-8-17-4-5-18-12/h2-6,8-9H,7H2,1H3
InChIKeyLDMXLIWKCIIXRK-UHFFFAOYSA-N
XLogP2.79
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
CID 9421508
1-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 9420001
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
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
4-(4-methylsulfanylphenyl)-2-pyrazin-2-yl-1,3-thiazole
CID 47061949
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
2-cyclopentylidene-2-[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 9423030
6-[2-(bromomethyl)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116970301
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421
5-(2-chloro-1H-imidazol-5-yl)-1-methyl-3H-indol-2-one
CID 116884391

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one (CID 60528907) is 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one is CN1C(=O)Cc2cc(-c3csc(-c4cnccn4)n3)ccc21.
What is the InChIKey of 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
The InChIKey is LDMXLIWKCIIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-20-14-3-2-10(6-11(14)7-15(20)21)13-9-22-16(19-13)12-8-17-4-5-18-12/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one?
1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one has a molecular weight of 308.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-3H-indol-2-one is sourced from PubChem (CID 60528907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).