5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide

C13H10N4O4S — CID 23658514

IUPAC5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2c1
InChIInChI=1S/C13H10N4O4S/c1-21-7-2-3-10-8(4-7)9(5-14-10)12(18)16-13-15-6-11(22-13)17(19)20/h2-6,14H,1H3,(H,15,16,18)
InChIKeyGSILDGJJEVKOPQ-UHFFFAOYSA-N
MW318.31 g/mol
LogP2.79
Rot. Bonds4

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

5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide (PubChem CID 23658514) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
PubChem CID23658514
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2c1
InChIInChI=1S/C13H10N4O4S/c1-21-7-2-3-10-8(4-7)9(5-14-10)12(18)16-13-15-6-11(22-13)17(19)20/h2-6,14H,1H3,(H,15,16,18)
InChIKeyGSILDGJJEVKOPQ-UHFFFAOYSA-N
XLogP2.79
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 52.79
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

4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
methane;1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 142331235
N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-indole-3-carboxamide
CID 43952217
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
N-(2-ethoxyphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206077

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide (CID 23658514) is 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2c1.
What is the InChIKey of 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
The InChIKey is GSILDGJJEVKOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c1-21-7-2-3-10-8(4-7)9(5-14-10)12(18)16-13-15-6-11(22-13)17(19)20/h2-6,14H,1H3,(H,15,16,18).
What are the key properties of 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide?
5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide has a molecular weight of 318.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 23658514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).