1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea

C15H10F2N4OS — CID 166963075

IUPAC1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1ncc(-c2ccncc2)s1
InChIInChI=1S/C15H10F2N4OS/c16-11-2-1-10(7-12(11)17)20-14(22)21-15-19-8-13(23-15)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22)
InChIKeyPUHZAVGLXHLMOS-UHFFFAOYSA-N
MW332.34 g/mol
LogP4.13
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 166963075) has the molecular formula C15H10F2N4OS and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID166963075
Molecular FormulaC15H10F2N4OS
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1ncc(-c2ccncc2)s1
InChIInChI=1S/C15H10F2N4OS/c16-11-2-1-10(7-12(11)17)20-14(22)21-15-19-8-13(23-15)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22)
InChIKeyPUHZAVGLXHLMOS-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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Related Compounds

2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
methyl 4-[5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 66610522
1-(3,4-difluorophenyl)-3-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 166962849
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
CID 48769108
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-(4-chlorophenyl)-3-[3-(6-pyridin-4-ylthieno[2,3-d]pyrimidin-4-yl)phenyl]urea
CID 68952217
1-[4-[2-(2-aminoethyl)-1,3-thiazol-5-yl]phenyl]-3-(2,4,5-trifluorophenyl)urea;hydrochloride
CID 66610504
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
1-(1-benzothiophen-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 22559487
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 166963075) is 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(Nc1ccc(F)c(F)c1)Nc1ncc(-c2ccncc2)s1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is PUHZAVGLXHLMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4OS/c16-11-2-1-10(7-12(11)17)20-14(22)21-15-19-8-13(23-15)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22).
What are the key properties of 1-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-(3,4-difluorophenyl)-3-(5-pyridin-4-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-(3,4-difluorophenyl)-3-(5-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 166963075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).