1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C16H14N6O4S — CID 60524660

IUPAC1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H14N6O4S/c23-14(18-16-17-5-7-27-16)12-2-1-6-21(12)15(24)13-10-8-9(22(25)26)3-4-11(10)19-20-13/h3-5,7-8,12H,1-2,6H2,(H,19,20)(H,17,18,23)
InChIKeyWDQNKTRSNNOMJA-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.17
Rot. Bonds4

About 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 60524660) has the molecular formula C16H14N6O4S and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID60524660
Molecular FormulaC16H14N6O4S
Molecular Weight386.39 g/mol
Exact Mass386.08
IUPAC Name1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H14N6O4S/c23-14(18-16-17-5-7-27-16)12-2-1-6-21(12)15(24)13-10-8-9(22(25)26)3-4-11(10)19-20-13/h3-5,7-8,12H,1-2,6H2,(H,19,20)(H,17,18,23)
InChIKeyWDQNKTRSNNOMJA-UHFFFAOYSA-N
XLogP2.17
TPSA134.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524677
1-[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670396
(2S)-1-(1H-indole-4-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 96569369
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
[(2R,3R)-2-methyl-3-phenylpyrrolidin-1-yl]-(5-nitro-1H-indazol-3-yl)methanone
CID 96534646
(2,3-dimethylpiperazin-1-yl)-(5-nitro-1H-indazol-3-yl)methanone;hydrochloride
CID 120571128
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670365
1-(4-methylsulfanylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 78864863
(2S)-1-(5-bromo-2-fluorobenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51935113

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 60524660) is 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is WDQNKTRSNNOMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4S/c23-14(18-16-17-5-7-27-16)12-2-1-6-21(12)15(24)13-10-8-9(22(25)26)3-4-11(10)19-20-13/h3-5,7-8,12H,1-2,6H2,(H,19,20)(H,17,18,23).
What are the key properties of 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1H-indazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).