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

C11H15F3N4OS — CID 167953396

IUPAC1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
SMILESCNC(=O)NC1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H15F3N4OS/c1-15-9(19)17-7-2-4-18(5-3-7)10-16-6-8(20-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,17,19)
InChIKeyBNCCQNHRJJPJKP-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.06
Rot. Bonds2

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

1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea (PubChem CID 167953396) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
PubChem CID167953396
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea
SMILESCNC(=O)NC1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C11H15F3N4OS/c1-15-9(19)17-7-2-4-18(5-3-7)10-16-6-8(20-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,17,19)
InChIKeyBNCCQNHRJJPJKP-UHFFFAOYSA-N
XLogP2.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-Cyclohexyl-3-(5-methylthiazol-2-yl)urea
CID 16729615
1,3-Dimethyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 19044103
2-(Piperazin-1-yl)-5-(trifluoromethyl)thiazole
CID 21100201
1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-propan-2-ylpiperidin-3-yl]urea
CID 88577504
1-(1-Ethylpiperidin-3-yl)-3-(5-fluoro-1,3-thiazol-2-yl)urea
CID 90804215
tert-butyl N-methyl-N-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]carbamate
CID 133508855
1-[4-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 133521953
tert-butyl N-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]carbamate
CID 133522742
1-(5-fluoro-1,3-thiazol-2-yl)-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 144106993
N-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 156313284

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea?
The IUPAC name of 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea (CID 167953396) is 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea is CNC(=O)NC1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea?
The InChIKey is BNCCQNHRJJPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-15-9(19)17-7-2-4-18(5-3-7)10-16-6-8(20-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,17,19).
What are the key properties of 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea?
1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea has a molecular weight of 308.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]urea is sourced from PubChem (CID 167953396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).