N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide

C8H10N2OS — CID 126690434

IUPACN,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide
SMILESC=Nc1c(C)csc1C(=O)NC
InChIInChI=1S/C8H10N2OS/c1-5-4-12-7(6(5)9-2)8(11)10-3/h4H,2H2,1,3H3,(H,10,11)
InChIKeyBOPUKLUJKVIVFC-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.75
Rot. Bonds2

About N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide

N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide (PubChem CID 126690434) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide
PubChem CID126690434
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide
SMILESC=Nc1c(C)csc1C(=O)NC
InChIInChI=1S/C8H10N2OS/c1-5-4-12-7(6(5)9-2)8(11)10-3/h4H,2H2,1,3H3,(H,10,11)
InChIKeyBOPUKLUJKVIVFC-UHFFFAOYSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide?
The IUPAC name of N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide (CID 126690434) is N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide?
The canonical SMILES for N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide is C=Nc1c(C)csc1C(=O)NC.
What is the InChIKey of N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide?
The InChIKey is BOPUKLUJKVIVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-5-4-12-7(6(5)9-2)8(11)10-3/h4H,2H2,1,3H3,(H,10,11).
What are the key properties of N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide?
N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide has a molecular weight of 182.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(methylideneamino)thiophene-2-carboxamide is sourced from PubChem (CID 126690434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).