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

C6H6F3N3OS — CID 121320447

IUPAC1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3OS/c1-10-4(13)12-5-11-2-3(14-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyVPUAICNAXUCJRA-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.91
Rot. Bonds1

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

1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 121320447) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID121320447
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3OS/c1-10-4(13)12-5-11-2-3(14-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyVPUAICNAXUCJRA-UHFFFAOYSA-N
XLogP1.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 121320447) is 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is CNC(=O)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is VPUAICNAXUCJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-10-4(13)12-5-11-2-3(14-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13).
What are the key properties of 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 225.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121320447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).