2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

C14H11N3O2S — CID 22515348

IUPAC2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1csc(NC(=O)C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H11N3O2S/c1-8-7-20-14(16-8)17-13(19)12(18)10-6-15-11-5-3-2-4-9(10)11/h2-7,15H,1H3,(H,16,17,19)
InChIKeyHMKVKRUYRJECIP-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.75
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide

2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (PubChem CID 22515348) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
PubChem CID22515348
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
SMILESCc1csc(NC(=O)C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H11N3O2S/c1-8-7-20-14(16-8)17-13(19)12(18)10-6-15-11-5-3-2-4-9(10)11/h2-7,15H,1H3,(H,16,17,19)
InChIKeyHMKVKRUYRJECIP-UHFFFAOYSA-N
XLogP2.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide (CID 22515348) is 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is Cc1csc(NC(=O)C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
The InChIKey is HMKVKRUYRJECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-7-20-14(16-8)17-13(19)12(18)10-6-15-11-5-3-2-4-9(10)11/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide?
2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide has a molecular weight of 285.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 22515348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).