1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea

C18H15ClN2O2S — CID 17312760

IUPAC1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c19-13-8-9-17(23-14-5-2-1-3-6-14)16(11-13)21-18(24)20-12-15-7-4-10-22-15/h1-11H,12H2,(H2,20,21,24)
InChIKeyOANCQLRFQHTODT-UHFFFAOYSA-N
MW358.85 g/mol
LogP5.21
Rot. Bonds5

About 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea

1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea (PubChem CID 17312760) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea
PubChem CID17312760
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c19-13-8-9-17(23-14-5-2-1-3-6-14)16(11-13)21-18(24)20-12-15-7-4-10-22-15/h1-11H,12H2,(H2,20,21,24)
InChIKeyOANCQLRFQHTODT-UHFFFAOYSA-N
XLogP5.21
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.85
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-phenoxyphenyl)-3-(3-methoxyphenyl)thiourea
CID 1290351
1-(5-chloro-2-methoxyphenyl)-3-[(5-methylfuran-2-yl)methyl]thiourea
CID 3793426
1-(furan-2-ylmethyl)-3-(2-propoxyphenyl)thiourea
CID 8683725
1-(3-chloro-2-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826690
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(furan-2-ylmethyl)urea
CID 71718130
1-(2-chloro-4,6-dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3857332
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
1-(4-chloroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8656042

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea (CID 17312760) is 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea is S=C(NCc1ccco1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
The InChIKey is OANCQLRFQHTODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c19-13-8-9-17(23-14-5-2-1-3-6-14)16(11-13)21-18(24)20-12-15-7-4-10-22-15/h1-11H,12H2,(H2,20,21,24).
What are the key properties of 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea?
1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea has a molecular weight of 358.85 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-phenoxyphenyl)-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 17312760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).