[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine

C14H19N3O2S2 — CID 105320678

IUPAC[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
SMILESCC(C(Cc1nc(-c2ccccc2)cs1)NN)S(C)(=O)=O
InChIInChI=1S/C14H19N3O2S2/c1-10(21(2,18)19)12(17-15)8-14-16-13(9-20-14)11-6-4-3-5-7-11/h3-7,9-10,12,17H,8,15H2,1-2H3
InChIKeyIIGRCGYXYVPEBD-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.62
Rot. Bonds6

About [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine

[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine (PubChem CID 105320678) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
PubChem CID105320678
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
SMILESCC(C(Cc1nc(-c2ccccc2)cs1)NN)S(C)(=O)=O
InChIInChI=1S/C14H19N3O2S2/c1-10(21(2,18)19)12(17-15)8-14-16-13(9-20-14)11-6-4-3-5-7-11/h3-7,9-10,12,17H,8,15H2,1-2H3
InChIKeyIIGRCGYXYVPEBD-UHFFFAOYSA-N
XLogP1.62
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazole
CID 66972700
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516842
[1-(2-methylcyclopropyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105234902
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676
1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine
CID 105269689
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine (CID 105320678) is [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine is CC(C(Cc1nc(-c2ccccc2)cs1)NN)S(C)(=O)=O.
What is the InChIKey of [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
The InChIKey is IIGRCGYXYVPEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(21(2,18)19)12(17-15)8-14-16-13(9-20-14)11-6-4-3-5-7-11/h3-7,9-10,12,17H,8,15H2,1-2H3.
What are the key properties of [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine?
[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine has a molecular weight of 325.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105320678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).