1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol

C17H21FN2OS — CID 119108451

IUPAC1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C17H21FN2OS/c18-14-6-4-13(5-7-14)16-20-15(11-22-16)10-19-12-17(21)8-2-1-3-9-17/h4-7,11,19,21H,1-3,8-10,12H2
InChIKeyUXNYMBKMTJVYSF-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.73
Rot. Bonds5

About 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 119108451) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID119108451
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCCC1
InChIInChI=1S/C17H21FN2OS/c18-14-6-4-13(5-7-14)16-20-15(11-22-16)10-19-12-17(21)8-2-1-3-9-17/h4-7,11,19,21H,1-3,8-10,12H2
InChIKeyUXNYMBKMTJVYSF-UHFFFAOYSA-N
XLogP3.73
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80524197
4-[[(2-phenyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436762
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
1-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621582
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 129364628

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol (CID 119108451) is 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2csc(-c3ccc(F)cc3)n2)CCCCC1.
What is the InChIKey of 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is UXNYMBKMTJVYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c18-14-6-4-13(5-7-14)16-20-15(11-22-16)10-19-12-17(21)8-2-1-3-9-17/h4-7,11,19,21H,1-3,8-10,12H2.
What are the key properties of 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 320.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 119108451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).