[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine

C14H14F3N3S — CID 106786856

IUPAC[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESNNC(c1cnc(C(F)(F)F)s1)C1Cc2ccccc2C1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)13-19-7-11(21-13)12(20-18)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12,20H,5-6,18H2
InChIKeyQXFNASSFCJXAOS-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.08
Rot. Bonds3

About [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine

[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (PubChem CID 106786856) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
PubChem CID106786856
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESNNC(c1cnc(C(F)(F)F)s1)C1Cc2ccccc2C1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)13-19-7-11(21-13)12(20-18)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12,20H,5-6,18H2
InChIKeyQXFNASSFCJXAOS-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.08
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

[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786987
[(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786785
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
[(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787272
[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106787152
[2-phenyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]hydrazine
CID 106787337
[(5-chlorofuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787327
[pyridin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786696
[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787343
[(4-methyl-2-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786798
N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783344

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (CID 106786856) is [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is NNC(c1cnc(C(F)(F)F)s1)C1Cc2ccccc2C1.
What is the InChIKey of [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The InChIKey is QXFNASSFCJXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c15-14(16,17)13-19-7-11(21-13)12(20-18)10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10,12,20H,5-6,18H2.
What are the key properties of [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine has a molecular weight of 313.35 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 106786856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).