1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea

C22H14Cl2FN3OS — CID 121149602

IUPAC1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C22H14Cl2FN3OS/c23-16-10-9-13(11-17(16)24)26-22(29)28-19-8-4-2-6-15(19)20-12-30-21(27-20)14-5-1-3-7-18(14)25/h1-12H,(H2,26,28,29)
InChIKeyLZHFZKGINAZBMQ-UHFFFAOYSA-N
MW458.35 g/mol
LogP7.57
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea

1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea (PubChem CID 121149602) has the molecular formula C22H14Cl2FN3OS and a molecular weight of 458.35 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
PubChem CID121149602
Molecular FormulaC22H14Cl2FN3OS
Molecular Weight458.35 g/mol
Exact Mass457.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1csc(-c2ccccc2F)n1
InChIInChI=1S/C22H14Cl2FN3OS/c23-16-10-9-13(11-17(16)24)26-22(29)28-19-8-4-2-6-15(19)20-12-30-21(27-20)14-5-1-3-7-18(14)25/h1-12H,(H2,26,28,29)
InChIKeyLZHFZKGINAZBMQ-UHFFFAOYSA-N
XLogP7.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 121148599
2-(2,4-dichlorophenoxy)-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 121148583
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 90626352
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-6-methoxypyridazine-3-carboxamide
CID 86264886
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121148662
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide
CID 167998520
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea (CID 121149602) is 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1csc(-c2ccccc2F)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea?
The InChIKey is LZHFZKGINAZBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3OS/c23-16-10-9-13(11-17(16)24)26-22(29)28-19-8-4-2-6-15(19)20-12-30-21(27-20)14-5-1-3-7-18(14)25/h1-12H,(H2,26,28,29).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea?
1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea has a molecular weight of 458.35 g/mol, XLogP of 7.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]urea is sourced from PubChem (CID 121149602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).