[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine

C14H17ClFN3S — CID 105264290

IUPAC[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
SMILESCc1nc(CC(Cc2cccc(Cl)c2F)NN)sc1C
InChIInChI=1S/C14H17ClFN3S/c1-8-9(2)20-13(18-8)7-11(19-17)6-10-4-3-5-12(15)14(10)16/h3-5,11,19H,6-7,17H2,1-2H3
InChIKeyWFJQXDKJPFKKCG-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.17
Rot. Bonds5

About [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine

[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine (PubChem CID 105264290) has the molecular formula C14H17ClFN3S and a molecular weight of 313.83 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
PubChem CID105264290
Molecular FormulaC14H17ClFN3S
Molecular Weight313.83 g/mol
Exact Mass313.08
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
SMILESCc1nc(CC(Cc2cccc(Cl)c2F)NN)sc1C
InChIInChI=1S/C14H17ClFN3S/c1-8-9(2)20-13(18-8)7-11(19-17)6-10-4-3-5-12(15)14(10)16/h3-5,11,19H,6-7,17H2,1-2H3
InChIKeyWFJQXDKJPFKKCG-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.17
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

1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
CID 82806249
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105264489
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine
CID 105212902
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
[1-(3-chloro-2-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105264289
[1-(3-chloro-2-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105264351
[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 102867810
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine (CID 105264290) is [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine is Cc1nc(CC(Cc2cccc(Cl)c2F)NN)sc1C.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine?
The InChIKey is WFJQXDKJPFKKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3S/c1-8-9(2)20-13(18-8)7-11(19-17)6-10-4-3-5-12(15)14(10)16/h3-5,11,19H,6-7,17H2,1-2H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine has a molecular weight of 313.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105264290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).