[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid

C17H20FN3O3S — CID 68720894

IUPAC[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid
SMILESCCN1CCC(O)(c2ncc(-c3ccc(NC(=O)O)c(F)c3)s2)CC1
InChIInChI=1S/C17H20FN3O3S/c1-2-21-7-5-17(24,6-8-21)15-19-10-14(25-15)11-3-4-13(12(18)9-11)20-16(22)23/h3-4,9-10,20,24H,2,5-8H2,1H3,(H,22,23)
InChIKeyDHGQYYWEIOZWEX-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.34
Rot. Bonds4

About [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid

[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid (PubChem CID 68720894) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid
PubChem CID68720894
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid
SMILESCCN1CCC(O)(c2ncc(-c3ccc(NC(=O)O)c(F)c3)s2)CC1
InChIInChI=1S/C17H20FN3O3S/c1-2-21-7-5-17(24,6-8-21)15-19-10-14(25-15)11-3-4-13(12(18)9-11)20-16(22)23/h3-4,9-10,20,24H,2,5-8H2,1H3,(H,22,23)
InChIKeyDHGQYYWEIOZWEX-UHFFFAOYSA-N
XLogP3.34
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid?
The IUPAC name of [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid (CID 68720894) is [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid.
What is the SMILES notation for [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid?
The canonical SMILES for [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid is CCN1CCC(O)(c2ncc(-c3ccc(NC(=O)O)c(F)c3)s2)CC1.
What is the InChIKey of [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid?
The InChIKey is DHGQYYWEIOZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-2-21-7-5-17(24,6-8-21)15-19-10-14(25-15)11-3-4-13(12(18)9-11)20-16(22)23/h3-4,9-10,20,24H,2,5-8H2,1H3,(H,22,23).
What are the key properties of [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid?
[4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid has a molecular weight of 365.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-ethyl-4-hydroxypiperidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]carbamic acid is sourced from PubChem (CID 68720894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).