[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

C12H13ClFN3S — CID 105342726

IUPAC[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(C(Cc2ccc(Cl)cc2F)NN)cs1
InChIInChI=1S/C12H13ClFN3S/c1-7-16-12(6-18-7)11(17-15)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,17H,4,15H2,1H3
InChIKeyKUUKRHLBYLCXIY-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.99
Rot. Bonds4

About [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine

[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (PubChem CID 105342726) has the molecular formula C12H13ClFN3S and a molecular weight of 285.78 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
PubChem CID105342726
Molecular FormulaC12H13ClFN3S
Molecular Weight285.78 g/mol
Exact Mass285.05
IUPAC Name[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
SMILESCc1nc(C(Cc2ccc(Cl)cc2F)NN)cs1
InChIInChI=1S/C12H13ClFN3S/c1-7-16-12(6-18-7)11(17-15)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,17H,4,15H2,1H3
InChIKeyKUUKRHLBYLCXIY-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.99
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

[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 103053824
[2-(4-chloro-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105342735
[2-(4-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190866
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
2-(2,5-difluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105105222
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105173582
[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 114033950
[1-(5-chloro-2-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316256
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 102609539
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
[1-(5-chloro-2-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105291913

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine (CID 105342726) is [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is Cc1nc(C(Cc2ccc(Cl)cc2F)NN)cs1.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
The InChIKey is KUUKRHLBYLCXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3S/c1-7-16-12(6-18-7)11(17-15)4-8-2-3-9(13)5-10(8)14/h2-3,5-6,11,17H,4,15H2,1H3.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine?
[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine has a molecular weight of 285.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105342726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).