(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea

C7H10N4OS — CID 163225626

IUPAC(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea
SMILESNCc1cc(/C(N)=N\C(N)=O)cs1
InChIInChI=1S/C7H10N4OS/c8-2-5-1-4(3-13-5)6(9)11-7(10)12/h1,3H,2,8H2,(H4,9,10,11,12)
InChIKeyPFQFHZGSFQDSMB-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.01
Rot. Bonds2

About (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea

(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea (PubChem CID 163225626) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea.

Molecular Properties

Compound Name(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea
PubChem CID163225626
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea
SMILESNCc1cc(/C(N)=N\C(N)=O)cs1
InChIInChI=1S/C7H10N4OS/c8-2-5-1-4(3-13-5)6(9)11-7(10)12/h1,3H,2,8H2,(H4,9,10,11,12)
InChIKeyPFQFHZGSFQDSMB-UHFFFAOYSA-N
XLogP-0.01
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea 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 (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea?
The IUPAC name of (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea (CID 163225626) is (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea.
What is the SMILES notation for (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea?
The canonical SMILES for (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea is NCc1cc(/C(N)=N\C(N)=O)cs1.
What is the InChIKey of (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea?
The InChIKey is PFQFHZGSFQDSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-2-5-1-4(3-13-5)6(9)11-7(10)12/h1,3H,2,8H2,(H4,9,10,11,12).
What are the key properties of (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea?
(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea has a molecular weight of 198.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea is sourced from PubChem (CID 163225626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).