2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H24N4O2S — CID 16668609

IUPAC2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H24N4O2S/c24-17(22-18-21-14-5-1-2-6-15(14)26-18)13-23-11-8-19(25,9-12-23)16-7-3-4-10-20-16/h3-4,7,10,25H,1-2,5-6,8-9,11-13H2,(H,21,22,24)
InChIKeyIGMYZPAUNVRKPP-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16668609) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID16668609
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H24N4O2S/c24-17(22-18-21-14-5-1-2-6-15(14)26-18)13-23-11-8-19(25,9-12-23)16-7-3-4-10-20-16/h3-4,7,10,25H,1-2,5-6,8-9,11-13H2,(H,21,22,24)
InChIKeyIGMYZPAUNVRKPP-UHFFFAOYSA-N
XLogP2.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 16668609) is 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IGMYZPAUNVRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-17(22-18-21-14-5-1-2-6-15(14)26-18)13-23-11-8-19(25,9-12-23)16-7-3-4-10-20-16/h3-4,7,10,25H,1-2,5-6,8-9,11-13H2,(H,21,22,24).
What are the key properties of 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).