1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea

C18H20BrN3OS — CID 5056842

IUPAC1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea
SMILESS=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)NC1CCCCC1
InChIInChI=1S/C18H20BrN3OS/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-20-22-18(24)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
InChIKeyHQQCEHJAZJROFF-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.84
Rot. Bonds4

About 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea

1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea (PubChem CID 5056842) has the molecular formula C18H20BrN3OS and a molecular weight of 406.35 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea
PubChem CID5056842
Molecular FormulaC18H20BrN3OS
Molecular Weight406.35 g/mol
Exact Mass405.05
IUPAC Name1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea
SMILESS=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)NC1CCCCC1
InChIInChI=1S/C18H20BrN3OS/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-20-22-18(24)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24)
InChIKeyHQQCEHJAZJROFF-UHFFFAOYSA-N
XLogP4.84
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.84
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'}

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Related Compounds

(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-cyclohexylprop-2-enamide
CID 1124180
[(Z)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]thiourea
CID 5419039
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-methylthiourea
CID 74279058
1-cyclohexyl-3-[(4-methylsulfanylphenyl)methylideneamino]thiourea
CID 5149342
1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
CID 42991509
1-cyclohexyl-3-[(5-methylfuran-2-yl)methylideneamino]urea
CID 2495861
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6959158
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518877
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844327
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4222897

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea?
The IUPAC name of 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea (CID 5056842) is 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea?
The canonical SMILES for 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea is S=C(NN=Cc1ccc(-c2ccc(Br)cc2)o1)NC1CCCCC1.
What is the InChIKey of 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea?
The InChIKey is HQQCEHJAZJROFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3OS/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-20-22-18(24)21-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24).
What are the key properties of 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea?
1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea has a molecular weight of 406.35 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-cyclohexylthiourea is sourced from PubChem (CID 5056842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).