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

C18H13ClFN3O2S — CID 9428356

IUPAC1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
SMILESO=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H13ClFN3O2S/c19-11-4-3-5-12(10-11)21-18(26)23-22-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)20/h1-10H,(H,22,24)(H2,21,23,26)
InChIKeyJOBSNISWWURYGA-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.37
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea (PubChem CID 9428356) has the molecular formula C18H13ClFN3O2S and a molecular weight of 389.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
PubChem CID9428356
Molecular FormulaC18H13ClFN3O2S
Molecular Weight389.84 g/mol
Exact Mass389.04
IUPAC Name1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
SMILESO=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C18H13ClFN3O2S/c19-11-4-3-5-12(10-11)21-18(26)23-22-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)20/h1-10H,(H,22,24)(H2,21,23,26)
InChIKeyJOBSNISWWURYGA-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-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-(2-fluorophenyl)thiourea
CID 9085158
N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 134014960
N-(3-carbamoyl-4-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 46400813
1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 18871792
1-(3-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 155517349
5-(2-fluorophenyl)-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide
CID 5104424
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
1-(3-chlorophenyl)-3-[3-(2-fluorophenyl)propanoylamino]thiourea
CID 9428355
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
3-chloro-N-[3-[[(2-fluorophenyl)carbamothioylamino]carbamoyl]phenyl]benzamide
CID 11842641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea (CID 9428356) is 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea is O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea?
The InChIKey is JOBSNISWWURYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2S/c19-11-4-3-5-12(10-11)21-18(26)23-22-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)20/h1-10H,(H,22,24)(H2,21,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea?
1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]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-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea is sourced from PubChem (CID 9428356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).