1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea

C11H11N3OS2 — CID 6182059

IUPAC1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
SMILESS=C(NCc1ccco1)N/N=C\c1cccs1
InChIInChI=1S/C11H11N3OS2/c16-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-17-10/h1-6,8H,7H2,(H2,12,14,16)/b13-8-
InChIKeyREWRSLOLKAHJCL-JYRVWZFOSA-N
MW265.36 g/mol
LogP2.34
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea

1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea (PubChem CID 6182059) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
PubChem CID6182059
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
SMILESS=C(NCc1ccco1)N/N=C\c1cccs1
InChIInChI=1S/C11H11N3OS2/c16-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-17-10/h1-6,8H,7H2,(H2,12,14,16)/b13-8-
InChIKeyREWRSLOLKAHJCL-JYRVWZFOSA-N
XLogP2.34
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
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 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-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-(furan-2-ylmethyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
CID 135643822
1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea
CID 7808774
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-(furan-2-ylmethyl)thiourea
CID 5410275
1-(furan-2-ylmethyl)-3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9396679
1-benzyl-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 5415725
(E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 9080643
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
CID 9096380
1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
1-[(4-fluorophenyl)methyl]-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 8870289
[4-[(Z)-(furan-2-ylmethylcarbamothioylhydrazinylidene)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
CID 136824451
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 28638535
1,1-bis(2-methylpropyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea
CID 11594561

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea (CID 6182059) is 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea is S=C(NCc1ccco1)N/N=C\c1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea?
The InChIKey is REWRSLOLKAHJCL-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H11N3OS2/c16-11(12-7-9-3-1-5-15-9)14-13-8-10-4-2-6-17-10/h1-6,8H,7H2,(H2,12,14,16)/b13-8-.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea?
1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea has a molecular weight of 265.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(Z)-thiophen-2-ylmethylideneamino]thiourea is sourced from PubChem (CID 6182059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).