N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide

C14H15N3OS2 — CID 22149275

IUPACN-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide
SMILESCSc1cccc(N(C)/C(N)=N/C(=O)c2cccs2)c1
InChIInChI=1S/C14H15N3OS2/c1-17(10-5-3-6-11(9-10)19-2)14(15)16-13(18)12-7-4-8-20-12/h3-9H,1-2H3,(H2,15,16,18)
InChIKeyVNDZJTDROPCLHC-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.06
Rot. Bonds3

About N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide

N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide (PubChem CID 22149275) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide
PubChem CID22149275
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC NameN-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide
SMILESCSc1cccc(N(C)/C(N)=N/C(=O)c2cccs2)c1
InChIInChI=1S/C14H15N3OS2/c1-17(10-5-3-6-11(9-10)19-2)14(15)16-13(18)12-7-4-8-20-12/h3-9H,1-2H3,(H2,15,16,18)
InChIKeyVNDZJTDROPCLHC-UHFFFAOYSA-N
XLogP3.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.06
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'}

Analyze N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide?
The IUPAC name of N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide (CID 22149275) is N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide.
What is the SMILES notation for N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide?
The canonical SMILES for N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide is CSc1cccc(N(C)/C(N)=N/C(=O)c2cccs2)c1.
What is the InChIKey of N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide?
The InChIKey is VNDZJTDROPCLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-17(10-5-3-6-11(9-10)19-2)14(15)16-13(18)12-7-4-8-20-12/h3-9H,1-2H3,(H2,15,16,18).
What are the key properties of N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide?
N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(N-methyl-3-methylsulfanylanilino)methylidene]thiophene-2-carboxamide is sourced from PubChem (CID 22149275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).