[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine

C8H11F2N3S — CID 131137810

IUPAC[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine
SMILESNNC(c1ccsn1)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7(12-11)6-1-2-14-13-6/h1-2,5,7,12H,3-4,11H2
InChIKeyXBKXHQRGSATETD-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.69
Rot. Bonds3

About [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine

[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine (PubChem CID 131137810) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine
PubChem CID131137810
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine
SMILESNNC(c1ccsn1)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7(12-11)6-1-2-14-13-6/h1-2,5,7,12H,3-4,11H2
InChIKeyXBKXHQRGSATETD-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3,3-Difluorocyclopentyl)-(1,2-thiazol-3-yl)methanamine
CID 130604829
[2,2-Difluoro-1-(1,2-thiazol-3-yl)propyl]hydrazine
CID 130710403
[2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethyl]hydrazine
CID 130721970
[(2-Fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130900516
1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
CID 131007624
4-Methyl-1-(1,2-thiazol-3-yl)pentan-1-amine
CID 82406423
(1S,2S)-2-methyl-1-(1,2-thiazol-3-yl)butan-1-amine
CID 82412306
(1R)-3-methyl-1-(1,2-thiazol-3-yl)butan-1-amine
CID 82412307
[Cyclopentyl(1,2-thiazol-3-yl)methyl]hydrazine
CID 127002569
2-(1,2-Thiazol-3-yl)cyclobutan-1-amine
CID 127003788
[2,2-Dimethyl-1-(1,2-thiazol-3-yl)propyl]hydrazine
CID 127016588
[(1-Methylcyclopentyl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604817

Frequently Asked Questions

What is the IUPAC name of [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine?
The IUPAC name of [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine (CID 131137810) is [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine is NNC(c1ccsn1)C1CC(F)(F)C1.
What is the InChIKey of [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine?
The InChIKey is XBKXHQRGSATETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)3-5(4-8)7(12-11)6-1-2-14-13-6/h1-2,5,7,12H,3-4,11H2.
What are the key properties of [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine?
[(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine has a molecular weight of 219.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,3-difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 131137810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).