N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide

C14H17N3O2S — CID 129309357

IUPACN-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NO)c1ccc2sc(CN3CCCCC3)nc2c1
InChIInChI=1S/C14H17N3O2S/c18-14(16-19)10-4-5-12-11(8-10)15-13(20-12)9-17-6-2-1-3-7-17/h4-5,8,19H,1-3,6-7,9H2,(H,16,18)
InChIKeyAELIOMOOVZVZDJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.40
Rot. Bonds3

About N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide

N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide (PubChem CID 129309357) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide
PubChem CID129309357
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NO)c1ccc2sc(CN3CCCCC3)nc2c1
InChIInChI=1S/C14H17N3O2S/c18-14(16-19)10-4-5-12-11(8-10)15-13(20-12)9-17-6-2-1-3-7-17/h4-5,8,19H,1-3,6-7,9H2,(H,16,18)
InChIKeyAELIOMOOVZVZDJ-UHFFFAOYSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide (CID 129309357) is N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide is O=C(NO)c1ccc2sc(CN3CCCCC3)nc2c1.
What is the InChIKey of N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is AELIOMOOVZVZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-14(16-19)10-4-5-12-11(8-10)15-13(20-12)9-17-6-2-1-3-7-17/h4-5,8,19H,1-3,6-7,9H2,(H,16,18).
What are the key properties of N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide?
N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 129309357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).