2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine

C12H14FN3S — CID 53272272

IUPAC2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H14FN3S/c1-16(2)15-8-12-14-7-11(17-12)9-3-5-10(13)6-4-9/h3-7,15H,8H2,1-2H3
InChIKeyNQNLZSSDUZRKBZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.52
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine

2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine (PubChem CID 53272272) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
PubChem CID53272272
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine
SMILESCN(C)NCc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H14FN3S/c1-16(2)15-8-12-14-7-11(17-12)9-3-5-10(13)6-4-9/h3-7,15H,8H2,1-2H3
InChIKeyNQNLZSSDUZRKBZ-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine (CID 53272272) is 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine is CN(C)NCc1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine?
The InChIKey is NQNLZSSDUZRKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c1-16(2)15-8-12-14-7-11(17-12)9-3-5-10(13)6-4-9/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine?
2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine has a molecular weight of 251.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 53272272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).