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

C15H10F2N4OS — CID 4799115

IUPAC1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H10F2N4OS/c16-9-4-5-11(10(17)7-9)19-14(22)21-15-20-13(8-23-15)12-3-1-2-6-18-12/h1-8H,(H2,19,20,21,22)
InChIKeyLGGVJHCTAUPYSX-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.13
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (PubChem CID 4799115) has the molecular formula C15H10F2N4OS and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
PubChem CID4799115
Molecular FormulaC15H10F2N4OS
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H10F2N4OS/c16-9-4-5-11(10(17)7-9)19-14(22)21-15-20-13(8-23-15)12-3-1-2-6-18-12/h1-8H,(H2,19,20,21,22)
InChIKeyLGGVJHCTAUPYSX-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea (CID 4799115) is 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is O=C(Nc1nc(-c2ccccn2)cs1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
The InChIKey is LGGVJHCTAUPYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4OS/c16-9-4-5-11(10(17)7-9)19-14(22)21-15-20-13(8-23-15)12-3-1-2-6-18-12/h1-8H,(H2,19,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea?
1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea has a molecular weight of 332.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4799115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).