1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea

C15H14ClFN2OS — CID 46924090

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1cccc(F)c1C
InChIInChI=1S/C15H14ClFN2OS/c1-9-11(17)4-3-5-12(9)18-15(21)19-13-8-10(16)6-7-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21)
InChIKeySWBVXUQBOLMBNM-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.61
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea

1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea (PubChem CID 46924090) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
PubChem CID46924090
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
SMILESCOc1ccc(Cl)cc1NC(=S)Nc1cccc(F)c1C
InChIInChI=1S/C15H14ClFN2OS/c1-9-11(17)4-3-5-12(9)18-15(21)19-13-8-10(16)6-7-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21)
InChIKeySWBVXUQBOLMBNM-UHFFFAOYSA-N
XLogP4.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 46924089
1-(4-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364912
1-(5-chloro-2-methoxyphenyl)-3-(3,5-dichlorophenyl)thiourea
CID 5197935
1-(2-chlorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364910
1-(5-chloro-2-methylphenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 17283684
1-(3-chloro-2-fluorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 53488642
1-(2-fluoro-5-methylphenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364863
1-(3-chloro-2-fluorophenyl)-3-(3-fluoro-2-methylphenyl)thiourea
CID 53364922
1-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489208
1-(5-chloro-2-methoxyphenyl)-3-(2-phenylsulfanylphenyl)thiourea
CID 19677668
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
1-(2,3-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)thiourea
CID 971408

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea (CID 46924090) is 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea is COc1ccc(Cl)cc1NC(=S)Nc1cccc(F)c1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
The InChIKey is SWBVXUQBOLMBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c1-9-11(17)4-3-5-12(9)18-15(21)19-13-8-10(16)6-7-14(13)20-2/h3-8H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea?
1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea has a molecular weight of 324.81 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(3-fluoro-2-methylphenyl)thiourea is sourced from PubChem (CID 46924090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).