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

C7H8F3N3OS — CID 19044103

IUPAC1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)N(C)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c1-11-5(14)13(2)6-12-3-4(15-6)7(8,9)10/h3H,1-2H3,(H,11,14)
InChIKeyLFYZXDULMJKCPH-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.94
Rot. Bonds1

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

1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 19044103) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID19044103
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCNC(=O)N(C)c1ncc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3OS/c1-11-5(14)13(2)6-12-3-4(15-6)7(8,9)10/h3H,1-2H3,(H,11,14)
InChIKeyLFYZXDULMJKCPH-UHFFFAOYSA-N
XLogP1.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-5-methylthiazole
CID 298507
N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
2-Thiazolamine, N-methyl-5-(trifluoromethyl)-
CID 11074029
N,5-dimethylthiazol-2-amine
CID 817028
N,5-dimethyl-1,3-thiazol-2-amine hydrochloride
CID 137971635
N-{1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl}propanamide
CID 1208101
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 12954380
2,2,2-trifluoro-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 23115861
5-Cyano-2-trifluoroacetamidothiazole
CID 57440769
(3R)-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 86631926
[5-(Trifluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87574884

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 19044103) is 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is CNC(=O)N(C)c1ncc(C(F)(F)F)s1.
What is the InChIKey of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is LFYZXDULMJKCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-11-5(14)13(2)6-12-3-4(15-6)7(8,9)10/h3H,1-2H3,(H,11,14).
What are the key properties of 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 239.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 19044103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).