N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C10H15N3O2S — CID 59679257

IUPACN-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)10-11-6-8(16-10)9(14)12-15/h6-7,15H,2-5H2,1H3,(H,12,14)
InChIKeyUCIBKMLRMOVVPI-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.07
Rot. Bonds2

About N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 59679257) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID59679257
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(=O)NO)s2)CC1
InChIInChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)10-11-6-8(16-10)9(14)12-15/h6-7,15H,2-5H2,1H3,(H,12,14)
InChIKeyUCIBKMLRMOVVPI-UHFFFAOYSA-N
XLogP1.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.07
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-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 59679257) is N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CN1CCC(c2ncc(C(=O)NO)s2)CC1.
What is the InChIKey of N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is UCIBKMLRMOVVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-13-4-2-7(3-5-13)10-11-6-8(16-10)9(14)12-15/h6-7,15H,2-5H2,1H3,(H,12,14).
What are the key properties of N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59679257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).