1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea

C18H13ClFN3O2S — CID 9085158

IUPAC1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClFN3O2S/c19-12-6-2-1-5-11(12)15-9-10-16(25-15)17(24)22-23-18(26)21-14-8-4-3-7-13(14)20/h1-10H,(H,22,24)(H2,21,23,26)
InChIKeyKAZNOJIUQBIEKH-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.37
Rot. Bonds3

About 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea

1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea (PubChem CID 9085158) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea
PubChem CID9085158
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H13ClFN3O2S/c19-12-6-2-1-5-11(12)15-9-10-16(25-15)17(24)22-23-18(26)21-14-8-4-3-7-13(14)20/h1-10H,(H,22,24)(H2,21,23,26)
InChIKeyKAZNOJIUQBIEKH-UHFFFAOYSA-N
XLogP4.37
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
CID 9428356
5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
N'-[5-(2-chlorophenyl)furan-2-carbonyl]pyridine-2-carbohydrazide
CID 8866672
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2-chlorophenyl)-N'-(thiophene-2-carbonyl)furan-2-carbohydrazide
CID 9085411
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 9077694
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
1-[(5-chlorothiophene-2-carbonyl)amino]-3-(2-fluorophenyl)thiourea
CID 9468703

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea (CID 9085158) is 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea is O=C(NNC(=S)Nc1ccccc1F)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea?
The InChIKey is KAZNOJIUQBIEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c19-12-6-2-1-5-11(12)15-9-10-16(25-15)17(24)22-23-18(26)21-14-8-4-3-7-13(14)20/h1-10H,(H,22,24)(H2,21,23,26).
What are the key properties of 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea?
1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea has a molecular weight of 389.84 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 9085158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).