[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine

C13H14F3N3OS — CID 105214746

IUPAC[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCc1nc(CC(NN)c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C13H14F3N3OS/c1-8-18-10(7-21-8)6-12(19-17)9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7,12,19H,6,17H2,1H3
InChIKeyCKDRYUKPMQBNAQ-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.10
Rot. Bonds5

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

[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105214746) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105214746
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCc1nc(CC(NN)c2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C13H14F3N3OS/c1-8-18-10(7-21-8)6-12(19-17)9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7,12,19H,6,17H2,1H3
InChIKeyCKDRYUKPMQBNAQ-UHFFFAOYSA-N
XLogP3.10
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316164
[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214792
[1-(5-methoxy-3-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214806
[1-(4-methoxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105258441
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105214788
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105207651
[1,1,1-trifluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105215784
2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918244
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316122

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105214746) is [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine is Cc1nc(CC(NN)c2cccc(OC(F)(F)F)c2)cs1.
What is the InChIKey of [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is CKDRYUKPMQBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-8-18-10(7-21-8)6-12(19-17)9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7,12,19H,6,17H2,1H3.
What are the key properties of [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 317.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105214746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).