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

C17H20FN3O2S — CID 66989316

IUPAC[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H20FN3O2S/c18-15-4-2-1-3-14(15)16-19-10-13(24-16)11-21-7-5-12(6-8-21)9-20-17(22)23/h1-4,10,12,20H,5-9,11H2,(H,22,23)
InChIKeyFHMANLGURQFSAP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.43
Rot. Bonds5

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 66989316) 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 CID66989316
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
SMILESO=C(O)NCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H20FN3O2S/c18-15-4-2-1-3-14(15)16-19-10-13(24-16)11-21-7-5-12(6-8-21)9-20-17(22)23/h1-4,10,12,20H,5-9,11H2,(H,22,23)
InChIKeyFHMANLGURQFSAP-UHFFFAOYSA-N
XLogP3.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
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 66989316) 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 O=C(O)NCC1CCN(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 FHMANLGURQFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-15-4-2-1-3-14(15)16-19-10-13(24-16)11-21-7-5-12(6-8-21)9-20-17(22)23/h1-4,10,12,20H,5-9,11H2,(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 3.43, 5 rotatable bonds, 2 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 66989316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).