1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

C17H13F3N4O3S — CID 127027641

IUPAC1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3nccs3)c2)cn1
InChIInChI=1S/C17H13F3N4O3S/c1-26-14-5-3-11(9-22-14)10-2-4-13(27-17(18,19)20)12(8-10)23-15(25)24-16-21-6-7-28-16/h2-9H,1H3,(H2,21,23,24,25)
InChIKeyNUFPUEHUEPQUBF-UHFFFAOYSA-N
MW410.38 g/mol
LogP4.76
Rot. Bonds5

About 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 127027641) has the molecular formula C17H13F3N4O3S and a molecular weight of 410.38 g/mol. Its IUPAC name is 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID127027641
Molecular FormulaC17H13F3N4O3S
Molecular Weight410.38 g/mol
Exact Mass410.07
IUPAC Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3nccs3)c2)cn1
InChIInChI=1S/C17H13F3N4O3S/c1-26-14-5-3-11(9-22-14)10-2-4-13(27-17(18,19)20)12(8-10)23-15(25)24-16-21-6-7-28-16/h2-9H,1H3,(H2,21,23,24,25)
InChIKeyNUFPUEHUEPQUBF-UHFFFAOYSA-N
XLogP4.76
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio}-N-1,3-thiazol-2-ylacetamide
CID 1258567
N-Propyl-5-(3-(2-trifluoromethyl-4-methoxyphenyl)-4-pyridyl)thiazole-2-amine
CID 117918880
N-(5-(3-(2-Trifluoromethyl-4-methoxyphenyl)-4-pyridyl)thiazole-2-yl)-2-methylpropanamide
CID 117918919
2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(5-methylthiazol-2-yl)acetamide
CID 1115251
1-Pyridin-2-yl-3-[5-pyridin-3-yl-2-(trifluoromethoxy)phenyl]urea
CID 127027297
1-[3-(6-Methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027306
1-[5-Pyridin-3-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127027308
1-[5-Pyrimidin-5-yl-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 127034986
1-(3,4-Dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 127036477
US9221808, 1am-HCl
CID 87405190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 127027641) is 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3nccs3)c2)cn1.
What is the InChIKey of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is NUFPUEHUEPQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S/c1-26-14-5-3-11(9-22-14)10-2-4-13(27-17(18,19)20)12(8-10)23-15(25)24-16-21-6-7-28-16/h2-9H,1H3,(H2,21,23,24,25).
What are the key properties of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 410.38 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).