phenyl-(thiophen-3-ylmethylideneamino)carbamic acid

C12H10N2O2S — CID 67900003

IUPACphenyl-(thiophen-3-ylmethylideneamino)carbamic acid
SMILESO=C(O)N(N=Cc1ccsc1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)14(11-4-2-1-3-5-11)13-8-10-6-7-17-9-10/h1-9H,(H,15,16)
InChIKeyVNBZCMHJEYLCBA-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.27
Rot. Bonds3

About phenyl-(thiophen-3-ylmethylideneamino)carbamic acid

phenyl-(thiophen-3-ylmethylideneamino)carbamic acid (PubChem CID 67900003) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is phenyl-(thiophen-3-ylmethylideneamino)carbamic acid.

Molecular Properties

Compound Namephenyl-(thiophen-3-ylmethylideneamino)carbamic acid
PubChem CID67900003
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Namephenyl-(thiophen-3-ylmethylideneamino)carbamic acid
SMILESO=C(O)N(N=Cc1ccsc1)c1ccccc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)14(11-4-2-1-3-5-11)13-8-10-6-7-17-9-10/h1-9H,(H,15,16)
InChIKeyVNBZCMHJEYLCBA-UHFFFAOYSA-N
XLogP3.27
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl-(thiophen-3-ylmethylideneamino)carbamic acid 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 phenyl-(thiophen-3-ylmethylideneamino)carbamic acid?
The IUPAC name of phenyl-(thiophen-3-ylmethylideneamino)carbamic acid (CID 67900003) is phenyl-(thiophen-3-ylmethylideneamino)carbamic acid.
What is the SMILES notation for phenyl-(thiophen-3-ylmethylideneamino)carbamic acid?
The canonical SMILES for phenyl-(thiophen-3-ylmethylideneamino)carbamic acid is O=C(O)N(N=Cc1ccsc1)c1ccccc1.
What is the InChIKey of phenyl-(thiophen-3-ylmethylideneamino)carbamic acid?
The InChIKey is VNBZCMHJEYLCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12(16)14(11-4-2-1-3-5-11)13-8-10-6-7-17-9-10/h1-9H,(H,15,16).
What are the key properties of phenyl-(thiophen-3-ylmethylideneamino)carbamic acid?
phenyl-(thiophen-3-ylmethylideneamino)carbamic acid has a molecular weight of 246.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(thiophen-3-ylmethylideneamino)carbamic acid is sourced from PubChem (CID 67900003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).