[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine

C11H16F3N3S2 — CID 106787152

IUPAC[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S2/c12-11(13,14)10-16-6-9(19-10)8(17-15)5-7-1-3-18-4-2-7/h6-8,17H,1-5,15H2
InChIKeyZQSBFABRAJHCTP-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.20
Rot. Bonds4

About [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine

[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine (PubChem CID 106787152) has the molecular formula C11H16F3N3S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
PubChem CID106787152
Molecular FormulaC11H16F3N3S2
Molecular Weight311.40 g/mol
Exact Mass311.07
IUPAC Name[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
SMILESNNC(CC1CCSCC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H16F3N3S2/c12-11(13,14)10-16-6-9(19-10)8(17-15)5-7-1-3-18-4-2-7/h6-8,17H,1-5,15H2
InChIKeyZQSBFABRAJHCTP-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.20
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

2-cycloheptyl-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785844
[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
[4-(trifluoromethyl)cyclohexyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786619
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
N-methyl-1-(4-propylcyclohexyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783344
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
[1-(4-fluorophenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105284174
[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786856
N-[2-cyclopropyl-2-methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783709
[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786987
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056

Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine?
The IUPAC name of [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine (CID 106787152) is [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine.
What is the SMILES notation for [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine?
The canonical SMILES for [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine is NNC(CC1CCSCC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine?
The InChIKey is ZQSBFABRAJHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S2/c12-11(13,14)10-16-6-9(19-10)8(17-15)5-7-1-3-18-4-2-7/h6-8,17H,1-5,15H2.
What are the key properties of [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine?
[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine has a molecular weight of 311.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine is sourced from PubChem (CID 106787152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).