1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea

C14H13Cl2N3O2S — CID 87653724

IUPAC1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
SMILESNC(=S)N(CCO)N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2N3O2S/c15-9-1-3-11(12(16)7-9)13-4-2-10(21-13)8-18-19(5-6-20)14(17)22/h1-4,7-8,20H,5-6H2,(H2,17,22)
InChIKeyOEOUGUFBPNPCBX-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.13
Rot. Bonds5

About 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea

1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea (PubChem CID 87653724) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
PubChem CID87653724
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
SMILESNC(=S)N(CCO)N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H13Cl2N3O2S/c15-9-1-3-11(12(16)7-9)13-4-2-10(21-13)8-18-19(5-6-20)14(17)22/h1-4,7-8,20H,5-6H2,(H2,17,22)
InChIKeyOEOUGUFBPNPCBX-UHFFFAOYSA-N
XLogP3.13
TPSA74.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.13
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-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)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-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87653700
1-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea
CID 87651925
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
1-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1-(2-methoxyethyl)thiourea
CID 87672584
2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enethioamide
CID 2979672
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-methylthiourea
CID 87674944
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
CID 136832205
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(furan-2-ylmethyl)thiourea
CID 87651899
4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 10498243
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-(4-ethoxyphenyl)methanimine
CID 3098706
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea (CID 87653724) is 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea is NC(=S)N(CCO)N=Cc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea?
The InChIKey is OEOUGUFBPNPCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c15-9-1-3-11(12(16)7-9)13-4-2-10(21-13)8-18-19(5-6-20)14(17)22/h1-4,7-8,20H,5-6H2,(H2,17,22).
What are the key properties of 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea?
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea has a molecular weight of 358.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 87653724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).