1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea

C14H14ClN3OS — CID 94829795

IUPAC1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClN3OS/c1-2-16-14(20)18-17-9-12-7-8-13(19-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H2,16,18,20)/b17-9-
InChIKeyVMJGHSFPJDLGHS-MFOYZWKCSA-N
MW307.81 g/mol
LogP3.42
Rot. Bonds4

About 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea

1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea (PubChem CID 94829795) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
PubChem CID94829795
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
SMILESCCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H14ClN3OS/c1-2-16-14(20)18-17-9-12-7-8-13(19-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H2,16,18,20)/b17-9-
InChIKeyVMJGHSFPJDLGHS-MFOYZWKCSA-N
XLogP3.42
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea 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-[(E)-[5-(4-tert-butylphenyl)furan-2-yl]methylideneamino]-3-ethylthiourea
CID 139431879
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
1-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-ethylthiourea
CID 6147753
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
1-ethyl-3-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9392217
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
methyl 3-[5-[(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]-4-methylbenzoate
CID 3490269
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea?
The IUPAC name of 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea (CID 94829795) is 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea.
What is the SMILES notation for 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea?
The canonical SMILES for 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea is CCNC(=S)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea?
The InChIKey is VMJGHSFPJDLGHS-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c1-2-16-14(20)18-17-9-12-7-8-13(19-12)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H2,16,18,20)/b17-9-.
What are the key properties of 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea?
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea has a molecular weight of 307.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-ethylthiourea is sourced from PubChem (CID 94829795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).