furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide

C13H9N5O6S — CID 70137908

IUPACfuran-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1csnn1.O=C(O)c1ccco1
InChIInChI=1S/C8H5N5O3S.C5H4O3/c14-8(6-4-17-12-11-6)10-7-2-1-5(3-9-7)13(15)16;6-5(7)4-2-1-3-8-4/h1-4H,(H,9,10,14);1-3H,(H,6,7)
InChIKeyKVCIBSWDHJVXTD-UHFFFAOYSA-N
MW363.31 g/mol
LogP2.07
Rot. Bonds4

About furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide

furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide (PubChem CID 70137908) has the molecular formula C13H9N5O6S and a molecular weight of 363.31 g/mol. Its IUPAC name is furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Namefuran-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide
PubChem CID70137908
Molecular FormulaC13H9N5O6S
Molecular Weight363.31 g/mol
Exact Mass363.03
IUPAC Namefuran-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)c1csnn1.O=C(O)c1ccco1
InChIInChI=1S/C8H5N5O3S.C5H4O3/c14-8(6-4-17-12-11-6)10-7-2-1-5(3-9-7)13(15)16;6-5(7)4-2-1-3-8-4/h1-4H,(H,9,10,14);1-3H,(H,6,7)
InChIKeyKVCIBSWDHJVXTD-UHFFFAOYSA-N
XLogP2.07
TPSA161.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-nitro-2-(thiadiazole-4-carbonylamino)benzoic acid
CID 65214660
furan-2-yl-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 18144589
5-bromo-N-(5-nitro-2-pyridinyl)furan-2-carboxamide
CID 5187612
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
5-fluoro-2-hydroxy-N-(5-nitro-2-pyridinyl)benzamide
CID 71403106
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
5-ethyl-N-(5-nitro-2-pyridinyl)-1,2-oxazole-4-carboxamide
CID 19439788
N-(5-nitro-2-pyridinyl)-7H-benzo[d][1,3]benzodiazepine-6-carboxamide
CID 102517643
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603

Frequently Asked Questions

What is the IUPAC name of furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide?
The IUPAC name of furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide (CID 70137908) is furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide.
What is the SMILES notation for furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide?
The canonical SMILES for furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)c1csnn1.O=C(O)c1ccco1.
What is the InChIKey of furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide?
The InChIKey is KVCIBSWDHJVXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O3S.C5H4O3/c14-8(6-4-17-12-11-6)10-7-2-1-5(3-9-7)13(15)16;6-5(7)4-2-1-3-8-4/h1-4H,(H,9,10,14);1-3H,(H,6,7).
What are the key properties of furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide?
furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxylic acid;N-(5-nitro-2-pyridinyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 70137908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).