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

C10H15F3N4S — CID 79765412

IUPAC[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-1-3-17(4-2-7)6-8-5-15-9(16-14)18-8/h5,7H,1-4,6,14H2,(H,15,16)
InChIKeyQCDOSKMWGDWCMS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.20
Rot. Bonds3

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

[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765412) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79765412
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)7-1-3-17(4-2-7)6-8-5-15-9(16-14)18-8/h5,7H,1-4,6,14H2,(H,15,16)
InChIKeyQCDOSKMWGDWCMS-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 65531153
N-methyl-1-[2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 65531165
2-methyl-N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65531535
[2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 65531539
N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 65531542
N-methyl-1-[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 65531548
N-[[2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65531729
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79764246
N-ethyl-2,2,2-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79764247
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79764380
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79764512
3,3,3-trifluoro-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N-methylpropan-1-amine
CID 79765284

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine (CID 79765412) is [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CN2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is QCDOSKMWGDWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)7-1-3-17(4-2-7)6-8-5-15-9(16-14)18-8/h5,7H,1-4,6,14H2,(H,15,16).
What are the key properties of [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 280.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).