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

C13H19F3N4OS — CID 78874909

IUPAC1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCC(CN1CCCCC1)NC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N4OS/c1-9(7-20-5-3-2-4-6-20)17-11(21)19-12-18-10(8-22-12)13(14,15)16/h8-9H,2-7H2,1H3,(H2,17,18,19,21)
InChIKeyGJASGMSSJYKXDT-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.16
Rot. Bonds4

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

1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 78874909) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID78874909
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCC(CN1CCCCC1)NC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N4OS/c1-9(7-20-5-3-2-4-6-20)17-11(21)19-12-18-10(8-22-12)13(14,15)16/h8-9H,2-7H2,1H3,(H2,17,18,19,21)
InChIKeyGJASGMSSJYKXDT-UHFFFAOYSA-N
XLogP3.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea
CID 154739295
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(2S)-1-piperidin-1-ylpropan-2-yl]urea
CID 99783227
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
(3S)-1-(cyclopropanecarbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 124569159
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 75418910
3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074704
1-(1-methylsulfonylpiperidin-3-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 47745330
N-(1-piperidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958032
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24648468

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 78874909) is 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is CC(CN1CCCCC1)NC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is GJASGMSSJYKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c1-9(7-20-5-3-2-4-6-20)17-11(21)19-12-18-10(8-22-12)13(14,15)16/h8-9H,2-7H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 336.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 78874909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).