[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine

C8H12F3N3OS — CID 82792748

IUPAC[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCCCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)2-1-3-15-5-6-4-13-7(14-12)16-6/h4H,1-3,5,12H2,(H,13,14)
InChIKeyHKXRZRIQOYYTNB-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.29
Rot. Bonds6

About [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine

[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 82792748) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID82792748
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COCCCC(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)2-1-3-15-5-6-4-13-7(14-12)16-6/h4H,1-3,5,12H2,(H,13,14)
InChIKeyHKXRZRIQOYYTNB-UHFFFAOYSA-N
XLogP2.29
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxymethyl)-1,3-thiazol-2-amine
CID 20664854
[5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764294
[5-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764415
[5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764569
[5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765559
5-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774189
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774190
N-propyl-5-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-2-amine
CID 79774284
5-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774515
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774516
N-propyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
CID 79774608
5-(2,2,3,3,3-Pentafluoropropoxymethyl)-1,3-thiazol-2-amine
CID 79774978

Frequently Asked Questions

What is the IUPAC name of [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine (CID 82792748) is [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COCCCC(F)(F)F)s1.
What is the InChIKey of [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is HKXRZRIQOYYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c9-8(10,11)2-1-3-15-5-6-4-13-7(14-12)16-6/h4H,1-3,5,12H2,(H,13,14).
What are the key properties of [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 255.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,4-trifluorobutoxymethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 82792748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).