[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol

C9H13N3O3S — CID 102771576

IUPAC[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCCC(CO)C2)s1
InChIInChI=1S/C9H13N3O3S/c13-6-7-2-1-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,7,13H,1-3,5-6H2
InChIKeyOVEDQHMYLYVTFW-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.26
Rot. Bonds3

About [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol

[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 102771576) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
PubChem CID102771576
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol
SMILESO=[N+]([O-])c1cnc(N2CCCC(CO)C2)s1
InChIInChI=1S/C9H13N3O3S/c13-6-7-2-1-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,7,13H,1-3,5-6H2
InChIKeyOVEDQHMYLYVTFW-UHFFFAOYSA-N
XLogP1.26
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol (CID 102771576) is [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol is O=[N+]([O-])c1cnc(N2CCCC(CO)C2)s1.
What is the InChIKey of [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is OVEDQHMYLYVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c13-6-7-2-1-3-11(5-7)9-10-4-8(16-9)12(14)15/h4,7,13H,1-3,5-6H2.
What are the key properties of [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol?
[1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 243.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 102771576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).