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

C16H17F3N2OS — CID 174564581

IUPAC[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILES[H]/N=C/CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-7-5-11(6-8-12)15-21-13(14(10-22)23-15)4-2-1-3-9-20/h5-9,20,22H,1-4,10H2/b20-9+
InChIKeyZUTGKWANSSURPX-AWQFTUOYSA-N
MW342.39 g/mol
LogP4.68
Rot. Bonds7

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

[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 174564581) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID174564581
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILES[H]/N=C/CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-7-5-11(6-8-12)15-21-13(14(10-22)23-15)4-2-1-3-9-20/h5-9,20,22H,1-4,10H2/b20-9+
InChIKeyZUTGKWANSSURPX-AWQFTUOYSA-N
XLogP4.68
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 142923281
[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 59594676
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde;[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 157056906
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
(4,4-difluoropiperidin-1-yl)-[4-[[5-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 143535288
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113
[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol
CID 13435383
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706
5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 122477140
2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 58934100

Frequently Asked Questions

What is the IUPAC name of [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 174564581) is [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is [H]/N=C/CCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CO.
What is the InChIKey of [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is ZUTGKWANSSURPX-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c17-16(18,19)12-7-5-11(6-8-12)15-21-13(14(10-22)23-15)4-2-1-3-9-20/h5-9,20,22H,1-4,10H2/b20-9+.
What are the key properties of [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 342.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 174564581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).