4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

C11H16F3N3OS — CID 106380292

IUPAC4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)7-17-3-1-8(2-4-17)15-5-9-6-19-10(18)16-9/h6,8,15H,1-5,7H2,(H,16,18)
InChIKeyQBXQKXZGCQSUAU-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.55
Rot. Bonds4

About 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380292) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380292
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCN(CC(F)(F)F)CC2)cs1
InChIInChI=1S/C11H16F3N3OS/c12-11(13,14)7-17-3-1-8(2-4-17)15-5-9-6-19-10(18)16-9/h6,8,15H,1-5,7H2,(H,16,18)
InChIKeyQBXQKXZGCQSUAU-UHFFFAOYSA-N
XLogP1.55
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
4-[(6,6,6-trifluorohexan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181359
4-Methyl-3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
CID 61686375
4-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106379669
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379682
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379689
4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379773
4-[[1-(1-propylpiperidin-4-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379817
4-[[(1,2,5-trimethylpiperidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379925
4-[(piperidin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379940
4-[[(1-methylpiperidin-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379972
4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379982

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380292) is 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCN(CC(F)(F)F)CC2)cs1.
What is the InChIKey of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is QBXQKXZGCQSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c12-11(13,14)7-17-3-1-8(2-4-17)15-5-9-6-19-10(18)16-9/h6,8,15H,1-5,7H2,(H,16,18).
What are the key properties of 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 295.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).