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

C12H8N4O3S — CID 46916963

IUPACN-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8N4O3S/c17-11(15-12-13-6-10(20-12)16(18)19)9-5-7-3-1-2-4-8(7)14-9/h1-6,14H,(H,13,15,17)
InChIKeyXOBDJJHLVMPRLD-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.78
Rot. Bonds3

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

N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (PubChem CID 46916963) has the molecular formula C12H8N4O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
PubChem CID46916963
Molecular FormulaC12H8N4O3S
Molecular Weight288.29 g/mol
Exact Mass288.03
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8N4O3S/c17-11(15-12-13-6-10(20-12)16(18)19)9-5-7-3-1-2-4-8(7)14-9/h1-6,14H,(H,13,15,17)
InChIKeyXOBDJJHLVMPRLD-UHFFFAOYSA-N
XLogP2.78
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(5-bromo-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60784651
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
CID 60804613
N-(1,3-benzothiazol-2-yl)-1H-indole-2-carboxamide
CID 43397690
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
2-(2-methyl-1H-indol-3-yl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 23658504
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(4-acetyl-1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 60717086
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
N-(6-bromo-3-pyridinyl)-1H-indole-2-carboxamide
CID 103789422

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide (CID 46916963) is N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
The InChIKey is XOBDJJHLVMPRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S/c17-11(15-12-13-6-10(20-12)16(18)19)9-5-7-3-1-2-4-8(7)14-9/h1-6,14H,(H,13,15,17).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide?
N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide has a molecular weight of 288.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46916963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).