1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea

C17H11Cl3FN3OS — CID 2743889

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11Cl3FN3OS/c18-11-2-1-3-12(19)10(11)7-16-23-15(8-26-16)24-17(25)22-9-4-5-14(21)13(20)6-9/h1-6,8H,7H2,(H2,22,24,25)
InChIKeyFGMUWPBAFJMOOB-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.48
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea (PubChem CID 2743889) has the molecular formula C17H11Cl3FN3OS and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea
PubChem CID2743889
Molecular FormulaC17H11Cl3FN3OS
Molecular Weight430.72 g/mol
Exact Mass428.97
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H11Cl3FN3OS/c18-11-2-1-3-12(19)10(11)7-16-23-15(8-26-16)24-17(25)22-9-4-5-14(21)13(20)6-9/h1-6,8H,7H2,(H2,22,24,25)
InChIKeyFGMUWPBAFJMOOB-UHFFFAOYSA-N
XLogP6.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
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1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
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1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
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1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
methyl 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 113306457
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
N-(3-chloro-4-fluorophenyl)-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
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CID 108875348

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea (CID 2743889) is 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1csc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea?
The InChIKey is FGMUWPBAFJMOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3FN3OS/c18-11-2-1-3-12(19)10(11)7-16-23-15(8-26-16)24-17(25)22-9-4-5-14(21)13(20)6-9/h1-6,8H,7H2,(H2,22,24,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea has a molecular weight of 430.72 g/mol, XLogP of 6.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]urea is sourced from PubChem (CID 2743889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).