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

C13H15ClFN3S — CID 114033950

IUPAC[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCc1nc(C)c(C(Cc2cc(Cl)ccc2F)NN)s1
InChIInChI=1S/C13H15ClFN3S/c1-7-13(19-8(2)17-7)12(18-16)6-9-5-10(14)3-4-11(9)15/h3-5,12,18H,6,16H2,1-2H3
InChIKeyNPMBZQRRRUEFBX-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.30
Rot. Bonds4

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

[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine (PubChem CID 114033950) has the molecular formula C13H15ClFN3S and a molecular weight of 299.80 g/mol. Its IUPAC name is [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine
PubChem CID114033950
Molecular FormulaC13H15ClFN3S
Molecular Weight299.80 g/mol
Exact Mass299.07
IUPAC Name[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine
SMILESCc1nc(C)c(C(Cc2cc(Cl)ccc2F)NN)s1
InChIInChI=1S/C13H15ClFN3S/c1-7-13(19-8(2)17-7)12(18-16)6-9-5-10(14)3-4-11(9)15/h3-5,12,18H,6,16H2,1-2H3
InChIKeyNPMBZQRRRUEFBX-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.30
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-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 114033839
[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 103053824
[2-(5-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]hydrazine
CID 114028450
[2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 103053503
[2-(5-chloro-2-fluorophenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 103053663
[2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 103053835
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
[2-(5-chloro-2-fluorophenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 103053706
[2-(4-chloro-2-fluorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105342726
[2-(5-bromo-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105294843
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
[2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375753

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine (CID 114033950) is [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine is Cc1nc(C)c(C(Cc2cc(Cl)ccc2F)NN)s1.
What is the InChIKey of [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine?
The InChIKey is NPMBZQRRRUEFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3S/c1-7-13(19-8(2)17-7)12(18-16)6-9-5-10(14)3-4-11(9)15/h3-5,12,18H,6,16H2,1-2H3.
What are the key properties of [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine?
[2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine has a molecular weight of 299.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 114033950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).