[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C15H17F3N4OS — CID 15717204

IUPAC[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCN(CC)c1ccc(/N=N/c2nc(C(F)(F)F)c(CO)s2)cc1
InChIInChI=1S/C15H17F3N4OS/c1-3-22(4-2)11-7-5-10(6-8-11)20-21-14-19-13(15(16,17)18)12(9-23)24-14/h5-8,23H,3-4,9H2,1-2H3/b21-20+
InChIKeyRAUDATWFFDZPBT-QZQOTICOSA-N
MW358.39 g/mol
LogP4.92
Rot. Bonds6

About [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 15717204) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID15717204
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCN(CC)c1ccc(/N=N/c2nc(C(F)(F)F)c(CO)s2)cc1
InChIInChI=1S/C15H17F3N4OS/c1-3-22(4-2)11-7-5-10(6-8-11)20-21-14-19-13(15(16,17)18)12(9-23)24-14/h5-8,23H,3-4,9H2,1-2H3/b21-20+
InChIKeyRAUDATWFFDZPBT-QZQOTICOSA-N
XLogP4.92
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 15717204) is [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CCN(CC)c1ccc(/N=N/c2nc(C(F)(F)F)c(CO)s2)cc1.
What is the InChIKey of [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is RAUDATWFFDZPBT-QZQOTICOSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-3-22(4-2)11-7-5-10(6-8-11)20-21-14-19-13(15(16,17)18)12(9-23)24-14/h5-8,23H,3-4,9H2,1-2H3/b21-20+.
What are the key properties of [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
[2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 358.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(diethylamino)phenyl]diazenyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 15717204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).