N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide

C10H8N2OS2 — CID 2746671

IUPACN-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
SMILESN/C(=N\C(=O)c1cccs1)c1cccs1
InChIInChI=1S/C10H8N2OS2/c11-9(7-3-1-5-14-7)12-10(13)8-4-2-6-15-8/h1-6H,(H2,11,12,13)
InChIKeyJZGBFNRNNMJHCY-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.36
Rot. Bonds2

About N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide

N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide (PubChem CID 2746671) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
PubChem CID2746671
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC NameN-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
SMILESN/C(=N\C(=O)c1cccs1)c1cccs1
InChIInChI=1S/C10H8N2OS2/c11-9(7-3-1-5-14-7)12-10(13)8-4-2-6-15-8/h1-6H,(H2,11,12,13)
InChIKeyJZGBFNRNNMJHCY-UHFFFAOYSA-N
XLogP2.36
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
CID 22149279
formic acid;thiophene-2-carboxamide
CID 118356394
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide
CID 22149275
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
benzamide;thiophene-2-carboxamide
CID 174752818
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-methylbenzoate
CID 19324371
(2Z)-2-hydrazinylidene-3-oxo-3-thiophen-2-ylpropanenitrile
CID 177341652
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925

Frequently Asked Questions

What is the IUPAC name of N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide?
The IUPAC name of N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide (CID 2746671) is N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide is N/C(=N\C(=O)c1cccs1)c1cccs1.
What is the InChIKey of N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide?
The InChIKey is JZGBFNRNNMJHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS2/c11-9(7-3-1-5-14-7)12-10(13)8-4-2-6-15-8/h1-6H,(H2,11,12,13).
What are the key properties of N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide?
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide is sourced from PubChem (CID 2746671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).