1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

C11H8F4N4OS — CID 86800062

IUPAC1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(F)cn1
InChIInChI=1S/C11H8F4N4OS/c12-6-1-2-8(16-3-6)19-10(20)17-4-9-18-7(5-21-9)11(13,14)15/h1-3,5H,4H2,(H2,16,17,19,20)
InChIKeyZTPYATXDZUTLPJ-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.02
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea

1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 86800062) has the molecular formula C11H8F4N4OS and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID86800062
Molecular FormulaC11H8F4N4OS
Molecular Weight320.27 g/mol
Exact Mass320.04
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(F)cn1
InChIInChI=1S/C11H8F4N4OS/c12-6-1-2-8(16-3-6)19-10(20)17-4-9-18-7(5-21-9)11(13,14)15/h1-3,5H,4H2,(H2,16,17,19,20)
InChIKeyZTPYATXDZUTLPJ-UHFFFAOYSA-N
XLogP3.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
1-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]urea
CID 24768279
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-(2-thienyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814320
1-(2,4-Difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea
CID 4799115
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine
CID 772885
6-methyl-N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972317
1-(Pyridin-2-yl)-3-(2-(pyridin-4-yl)thiazol-4-yl)urea
CID 9817688
1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 20647087
4-Pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
CID 20647090
1-Benzyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 53492329

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea (CID 86800062) is 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is ZTPYATXDZUTLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4OS/c12-6-1-2-8(16-3-6)19-10(20)17-4-9-18-7(5-21-9)11(13,14)15/h1-3,5H,4H2,(H2,16,17,19,20).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea?
1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 320.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 86800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).