(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea

C11H9N3O2S — CID 127261639

IUPAC(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
SMILESS=C(/N=C/c1ccco1)N/N=C/c1ccco1
InChIInChI=1S/C11H9N3O2S/c17-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,17)/b12-7+,13-8+
InChIKeyPQXNXZAEFISILZ-INOXDZRUSA-N
MW247.28 g/mol
LogP2.20
Rot. Bonds3

About (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea

(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea (PubChem CID 127261639) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
PubChem CID127261639
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea
SMILESS=C(/N=C/c1ccco1)N/N=C/c1ccco1
InChIInChI=1S/C11H9N3O2S/c17-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,17)/b12-7+,13-8+
InChIKeyPQXNXZAEFISILZ-INOXDZRUSA-N
XLogP2.20
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(Z)-furan-2-ylmethylideneamino]-3-methylthiourea
CID 5423286
methyl N-[(E)-furan-2-ylmethylideneamino]carbamodithioate
CID 6185558
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
1,2-bis[(Z)-furan-2-ylmethylideneamino]guanidine
CID 6154529
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
1-[(4-fluorophenyl)methyl]-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 8870289
1-(furan-2-ylmethylideneamino)-3-(3-methoxypropyl)thiourea
CID 2826687
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea?
The IUPAC name of (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea (CID 127261639) is (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea.
What is the SMILES notation for (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea?
The canonical SMILES for (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea is S=C(/N=C/c1ccco1)N/N=C/c1ccco1.
What is the InChIKey of (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea?
The InChIKey is PQXNXZAEFISILZ-INOXDZRUSA-N. The full InChI is InChI=1S/C11H9N3O2S/c17-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-16-10/h1-8H,(H,14,17)/b12-7+,13-8+.
What are the key properties of (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea?
(1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea has a molecular weight of 247.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(furan-2-ylmethylidene)-3-[(E)-furan-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 127261639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).