1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C11H15F3N4O3S2 — CID 47745330

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)Nc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H15F3N4O3S2/c1-23(20,21)18-4-2-3-7(5-18)15-9(19)17-10-16-8(6-22-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyPNXMJZMKVFRKKY-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.71
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 47745330) has the molecular formula C11H15F3N4O3S2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID47745330
Molecular FormulaC11H15F3N4O3S2
Molecular Weight372.39 g/mol
Exact Mass372.05
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)Nc2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H15F3N4O3S2/c1-23(20,21)18-4-2-3-7(5-18)15-9(19)17-10-16-8(6-22-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,19)
InChIKeyPNXMJZMKVFRKKY-UHFFFAOYSA-N
XLogP1.71
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidin-3-yl)-3-(4-methylthiophen-3-yl)urea
CID 136516934
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]acetamide
CID 171327941
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-(1,3-benzodioxol-5-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779230
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
CID 53406202
1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874909
1-(3-ethynylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 95193485
1-(1-methylsulfonylpiperidin-3-yl)-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568082

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 47745330) is 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is CS(=O)(=O)N1CCCC(NC(=O)Nc2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is PNXMJZMKVFRKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O3S2/c1-23(20,21)18-4-2-3-7(5-18)15-9(19)17-10-16-8(6-22-10)11(12,13)14/h6-7H,2-5H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 372.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 47745330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).