2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C14H12N4O3S — CID 23658504

IUPAC2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H12N4O3S/c1-8-10(9-4-2-3-5-11(9)16-8)6-12(19)17-14-15-7-13(22-14)18(20)21/h2-5,7,16H,6H2,1H3,(H,15,17,19)
InChIKeySULBVTQKJATENU-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 23658504) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID23658504
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C14H12N4O3S/c1-8-10(9-4-2-3-5-11(9)16-8)6-12(19)17-14-15-7-13(22-14)18(20)21/h2-5,7,16H,6H2,1H3,(H,15,17,19)
InChIKeySULBVTQKJATENU-UHFFFAOYSA-N
XLogP3.02
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 23658504) is 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is SULBVTQKJATENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c1-8-10(9-4-2-3-5-11(9)16-8)6-12(19)17-14-15-7-13(22-14)18(20)21/h2-5,7,16H,6H2,1H3,(H,15,17,19).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23658504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).