[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid

C17H19F2N3O2S — CID 66989418

IUPAC[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1
InChIInChI=1S/C17H19F2N3O2S/c18-13-2-1-3-14(19)15(13)16-20-9-12(25-16)10-22-6-4-11(5-7-22)8-21-17(23)24/h1-3,9,11,21H,4-8,10H2,(H,23,24)
InChIKeyUMIKQKATUOKZMC-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.57
Rot. Bonds5

About [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid

[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid (PubChem CID 66989418) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
PubChem CID66989418
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1
InChIInChI=1S/C17H19F2N3O2S/c18-13-2-1-3-14(19)15(13)16-20-9-12(25-16)10-22-6-4-11(5-7-22)8-21-17(23)24/h1-3,9,11,21H,4-8,10H2,(H,23,24)
InChIKeyUMIKQKATUOKZMC-UHFFFAOYSA-N
XLogP3.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid (CID 66989418) is [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1.
What is the InChIKey of [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid?
The InChIKey is UMIKQKATUOKZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c18-13-2-1-3-14(19)15(13)16-20-9-12(25-16)10-22-6-4-11(5-7-22)8-21-17(23)24/h1-3,9,11,21H,4-8,10H2,(H,23,24).
What are the key properties of [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid?
[1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid has a molecular weight of 367.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 66989418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).