2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide

C9H13N3O2S — CID 22242781

IUPAC2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c10-8(14)7-5-15-9(11-7)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2,(H2,10,14)
InChIKeyAUVZRVQEDDPHSA-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.20
Rot. Bonds2

About 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide

2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 22242781) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID22242781
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2CCC(O)CC2)n1
InChIInChI=1S/C9H13N3O2S/c10-8(14)7-5-15-9(11-7)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2,(H2,10,14)
InChIKeyAUVZRVQEDDPHSA-UHFFFAOYSA-N
XLogP0.20
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 22242781) is 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2CCC(O)CC2)n1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AUVZRVQEDDPHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-8(14)7-5-15-9(11-7)12-3-1-6(13)2-4-12/h5-6,13H,1-4H2,(H2,10,14).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide?
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).