5-methyl-4-nitrothiophene-2-carboxamide

C6H6N2O3S — CID 770001

IUPAC5-methyl-4-nitrothiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3S/c1-3-4(8(10)11)2-5(12-3)6(7)9/h2H,1H3,(H2,7,9)
InChIKeyDFQLMQGFILOBCQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.06
Rot. Bonds2

About 5-methyl-4-nitrothiophene-2-carboxamide

5-methyl-4-nitrothiophene-2-carboxamide (PubChem CID 770001) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-methyl-4-nitrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitrothiophene-2-carboxamide
PubChem CID770001
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name5-methyl-4-nitrothiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3S/c1-3-4(8(10)11)2-5(12-3)6(7)9/h2H,1H3,(H2,7,9)
InChIKeyDFQLMQGFILOBCQ-UHFFFAOYSA-N
XLogP1.06
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride
CID 3077113
1-(5-Chloro-4-nitrothiophen-2-yl)ethan-1-one
CID 521105
5-Methyl-4-nitrothiophene-2-carbaldehyde
CID 12589304
5-Nitrothiophene-2-carboxamide
CID 314710
N-[2-(dipropylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 45264573
1-(5-Amino-4-nitrothiophen-2-yl)ethan-1-one
CID 350829
1-(5-Bromo-4-nitro-2-thienyl)ethan-1-one
CID 540647
2-Acetyl-4-nitrothiophene
CID 593702
4-Aminothiophene-2-carboxamide
CID 45084160
3-Nitrothiophene-2-carboxamide
CID 11499293
1-(4-Nitro-2-thienyl)-1-propanone
CID 12813861
3-Fluoro-5-nitrothiophene-2-carboxamide
CID 118978131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitrothiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-nitrothiophene-2-carboxamide (CID 770001) is 5-methyl-4-nitrothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-nitrothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-nitrothiophene-2-carboxamide is Cc1sc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitrothiophene-2-carboxamide?
The InChIKey is DFQLMQGFILOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c1-3-4(8(10)11)2-5(12-3)6(7)9/h2H,1H3,(H2,7,9).
What are the key properties of 5-methyl-4-nitrothiophene-2-carboxamide?
5-methyl-4-nitrothiophene-2-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitrothiophene-2-carboxamide is sourced from PubChem (CID 770001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).