4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide

C10H9N5O3S2 — CID 4029155

IUPAC4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide
SMILESCC(=NNC(=O)c1snnc1C)c1cc([N+](=O)[O-])cs1
InChIInChI=1S/C10H9N5O3S2/c1-5(8-3-7(4-19-8)15(17)18)11-13-10(16)9-6(2)12-14-20-9/h3-4H,1-2H3,(H,13,16)
InChIKeyBPAWOYKUYVKFPX-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.97
Rot. Bonds4

About 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide

4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide (PubChem CID 4029155) has the molecular formula C10H9N5O3S2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide
PubChem CID4029155
Molecular FormulaC10H9N5O3S2
Molecular Weight311.35 g/mol
Exact Mass311.01
IUPAC Name4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide
SMILESCC(=NNC(=O)c1snnc1C)c1cc([N+](=O)[O-])cs1
InChIInChI=1S/C10H9N5O3S2/c1-5(8-3-7(4-19-8)15(17)18)11-13-10(16)9-6(2)12-14-20-9/h3-4H,1-2H3,(H,13,16)
InChIKeyBPAWOYKUYVKFPX-UHFFFAOYSA-N
XLogP1.97
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
CID 164702525
2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
CID 3097259
N-[1-(4-nitrothiophen-2-yl)ethylidene]hydroxylamine
CID 86135723
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 17013766
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402036
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 20719818
2-(2,5-dinitrophenoxy)ethyl 4-methylthiadiazole-5-carboxylate
CID 134112914
4-nitro-N-[(E)-1-(2,4,6-trimethyl-3-pyridinyl)ethylideneamino]benzamide
CID 45146807
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide (CID 4029155) is 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide is CC(=NNC(=O)c1snnc1C)c1cc([N+](=O)[O-])cs1.
What is the InChIKey of 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide?
The InChIKey is BPAWOYKUYVKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3S2/c1-5(8-3-7(4-19-8)15(17)18)11-13-10(16)9-6(2)12-14-20-9/h3-4H,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide?
4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]thiadiazole-5-carboxamide is sourced from PubChem (CID 4029155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).