1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea

C18H14ClN3OS — CID 1101255

IUPAC1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
SMILESS=C(NN=Cc1ccc(-c2ccccc2Cl)o1)Nc1ccccc1
InChIInChI=1S/C18H14ClN3OS/c19-16-9-5-4-8-15(16)17-11-10-14(23-17)12-20-22-18(24)21-13-6-2-1-3-7-13/h1-12H,(H2,21,22,24)
InChIKeyCMHZZRBTBSCYCJ-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.92
Rot. Bonds4

About 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea

1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea (PubChem CID 1101255) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
PubChem CID1101255
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
SMILESS=C(NN=Cc1ccc(-c2ccccc2Cl)o1)Nc1ccccc1
InChIInChI=1S/C18H14ClN3OS/c19-16-9-5-4-8-15(16)17-11-10-14(23-17)12-20-22-18(24)21-13-6-2-1-3-7-13/h1-12H,(H2,21,22,24)
InChIKeyCMHZZRBTBSCYCJ-UHFFFAOYSA-N
XLogP4.92
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.92
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

1-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 3104270
1-[(E)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6870116
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-hydroxyethyl)thiourea
CID 154432661
[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
1-(4-methylphenyl)-3-[(5-phenylfuran-2-yl)methylideneamino]thiourea
CID 4046043
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
1-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 1209484

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea (CID 1101255) is 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea is S=C(NN=Cc1ccc(-c2ccccc2Cl)o1)Nc1ccccc1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea?
The InChIKey is CMHZZRBTBSCYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-16-9-5-4-8-15(16)17-11-10-14(23-17)12-20-22-18(24)21-13-6-2-1-3-7-13/h1-12H,(H2,21,22,24).
What are the key properties of 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea?
1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea has a molecular weight of 355.85 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 1101255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).