[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid

C17H20FN3O2S — CID 66989317

IUPAC[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H20FN3O2S/c1-20(17(22)23)12-6-8-21(9-7-12)11-13-10-19-16(24-13)14-4-2-3-5-15(14)18/h2-5,10,12H,6-9,11H2,1H3,(H,22,23)
InChIKeyYRXCMGFBBCVHCQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds4

About [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid

[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 66989317) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID66989317
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H20FN3O2S/c1-20(17(22)23)12-6-8-21(9-7-12)11-13-10-19-16(24-13)14-4-2-3-5-15(14)18/h2-5,10,12H,6-9,11H2,1H3,(H,22,23)
InChIKeyYRXCMGFBBCVHCQ-UHFFFAOYSA-N
XLogP3.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid (CID 66989317) is [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(Cc2cnc(-c3ccccc3F)s2)CC1.
What is the InChIKey of [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is YRXCMGFBBCVHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-20(17(22)23)12-6-8-21(9-7-12)11-13-10-19-16(24-13)14-4-2-3-5-15(14)18/h2-5,10,12H,6-9,11H2,1H3,(H,22,23).
What are the key properties of [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid?
[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 349.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 66989317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).