2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

C19H17N5O2S — CID 90572172

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-16(14-5-2-3-6-15(14)22-12)17(25)18(26)20-9-7-13-11-27-19(23-13)24-10-4-8-21-24/h2-6,8,10-11,22H,7,9H2,1H3,(H,20,26)
InChIKeyCRCAXYIOCLXPDE-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.66
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 90572172) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID90572172
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-16(14-5-2-3-6-15(14)22-12)17(25)18(26)20-9-7-13-11-27-19(23-13)24-10-4-8-21-24/h2-6,8,10-11,22H,7,9H2,1H3,(H,20,26)
InChIKeyCRCAXYIOCLXPDE-UHFFFAOYSA-N
XLogP2.66
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90570922
2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 71802228
1-benzhydryl-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 71802240
2-pyrazol-1-yl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572214
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556340
2-ethylsulfanyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572185
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
3,4,5-trimethoxy-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 90572102
2-(4-chlorophenoxy)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572138

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 90572172) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is CRCAXYIOCLXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-16(14-5-2-3-6-15(14)22-12)17(25)18(26)20-9-7-13-11-27-19(23-13)24-10-4-8-21-24/h2-6,8,10-11,22H,7,9H2,1H3,(H,20,26).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 90572172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).