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

C16H20N4O3S — CID 66990026

IUPAC[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(O)CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H20N4O3S/c1-19(15(21)22)16(23)5-8-20(9-6-16)11-12-10-18-14(24-12)13-4-2-3-7-17-13/h2-4,7,10,23H,5-6,8-9,11H2,1H3,(H,21,22)
InChIKeyWGEPTJAHHRUXNW-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.10
Rot. Bonds4

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

[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 66990026) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID66990026
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(O)CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H20N4O3S/c1-19(15(21)22)16(23)5-8-20(9-6-16)11-12-10-18-14(24-12)13-4-2-3-7-17-13/h2-4,7,10,23H,5-6,8-9,11H2,1H3,(H,21,22)
InChIKeyWGEPTJAHHRUXNW-UHFFFAOYSA-N
XLogP2.10
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid (CID 66990026) is [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1(O)CCN(Cc2cnc(-c3ccccn3)s2)CC1.
What is the InChIKey of [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is WGEPTJAHHRUXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-19(15(21)22)16(23)5-8-20(9-6-16)11-12-10-18-14(24-12)13-4-2-3-7-17-13/h2-4,7,10,23H,5-6,8-9,11H2,1H3,(H,21,22).
What are the key properties of [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid?
[4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 348.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 66990026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).