1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea

C16H9F4N3OS — CID 2810744

IUPAC1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9F4N3OS/c17-9-2-4-13(12(20)6-9)21-15(24)23-16-22-14(7-25-16)8-1-3-10(18)11(19)5-8/h1-7H,(H2,21,22,23,24)
InChIKeyICCGULWRUAXLTP-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.01
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea

1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea (PubChem CID 2810744) has the molecular formula C16H9F4N3OS and a molecular weight of 367.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
PubChem CID2810744
Molecular FormulaC16H9F4N3OS
Molecular Weight367.33 g/mol
Exact Mass367.04
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H9F4N3OS/c17-9-2-4-13(12(20)6-9)21-15(24)23-16-22-14(7-25-16)8-1-3-10(18)11(19)5-8/h1-7H,(H2,21,22,23,24)
InChIKeyICCGULWRUAXLTP-UHFFFAOYSA-N
XLogP5.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea (CID 2810744) is 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is ICCGULWRUAXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3OS/c17-9-2-4-13(12(20)6-9)21-15(24)23-16-22-14(7-25-16)8-1-3-10(18)11(19)5-8/h1-7H,(H2,21,22,23,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea?
1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 367.33 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 2810744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).