3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide

C15H12N4O4S — CID 174998906

IUPAC3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide
SMILESCC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C15H12N4O4S/c1-7-12(8(2)20)10-5-9(6-11(19(22)23)13(10)17-7)14(21)18-15-16-3-4-24-15/h3-6,17H,1-2H3,(H,16,18,21)
InChIKeyHBYBHDGGFHSIEZ-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.30
Rot. Bonds4

About 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide

3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide (PubChem CID 174998906) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide
PubChem CID174998906
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC Name3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide
SMILESCC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C15H12N4O4S/c1-7-12(8(2)20)10-5-9(6-11(19(22)23)13(10)17-7)14(21)18-15-16-3-4-24-15/h3-6,17H,1-2H3,(H,16,18,21)
InChIKeyHBYBHDGGFHSIEZ-UHFFFAOYSA-N
XLogP3.30
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 139080774
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CID 62173212
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CID 62154502
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
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CID 47265101
4-(3-methylbutylsulfanyl)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 7740802
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4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 27257229
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 20683999

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide (CID 174998906) is 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide is CC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(C(=O)Nc3nccs3)cc12.
What is the InChIKey of 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
The InChIKey is HBYBHDGGFHSIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-7-12(8(2)20)10-5-9(6-11(19(22)23)13(10)17-7)14(21)18-15-16-3-4-24-15/h3-6,17H,1-2H3,(H,16,18,21).
What are the key properties of 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide?
3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 174998906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).