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

C12H12ClF2N3S — CID 105326618

IUPAC[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C12H12ClF2N3S/c1-6-5-19-12(17-6)4-11(18-16)7-2-10(15)8(13)3-9(7)14/h2-3,5,11,18H,4,16H2,1H3
InChIKeyKIMRJESPRRTXAK-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.13
Rot. Bonds4

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

[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105326618) has the molecular formula C12H12ClF2N3S and a molecular weight of 303.77 g/mol. Its IUPAC name is [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105326618
Molecular FormulaC12H12ClF2N3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
SMILESCc1csc(CC(NN)c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C12H12ClF2N3S/c1-6-5-19-12(17-6)4-11(18-16)7-2-10(15)8(13)3-9(7)14/h2-3,5,11,18H,4,16H2,1H3
InChIKeyKIMRJESPRRTXAK-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214246
[1-(2-bromo-4-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326577
[1-(2,6-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214156
[1-(3-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105194644
1-(4-chloro-3-fluorophenyl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 107994603
[1-(4-bromo-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326521
[1-(2-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 106793984
[1-(3,5-dibromophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 107979313
[1-(7-fluoro-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214352
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895
[1-[2-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326538
[1-(4-chloro-2,5-difluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105330391

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine (CID 105326618) is [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is Cc1csc(CC(NN)c2cc(F)c(Cl)cc2F)n1.
What is the InChIKey of [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is KIMRJESPRRTXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3S/c1-6-5-19-12(17-6)4-11(18-16)7-2-10(15)8(13)3-9(7)14/h2-3,5,11,18H,4,16H2,1H3.
What are the key properties of [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 303.77 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,5-difluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105326618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).