1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C15H18N4O2S — CID 123534585

IUPAC1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3NO)cs2)CC1
InChIInChI=1S/C15H18N4O2S/c16-14(20)10-5-7-19(8-6-10)15-17-13(9-22-15)11-3-1-2-4-12(11)18-21/h1-4,9-10,18,21H,5-8H2,(H2,16,20)
InChIKeyOAASZEUAEOBAGK-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 123534585) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID123534585
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3NO)cs2)CC1
InChIInChI=1S/C15H18N4O2S/c16-14(20)10-5-7-19(8-6-10)15-17-13(9-22-15)11-3-1-2-4-12(11)18-21/h1-4,9-10,18,21H,5-8H2,(H2,16,20)
InChIKeyOAASZEUAEOBAGK-UHFFFAOYSA-N
XLogP2.31
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 623279
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 122047336
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907689
2-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenol
CID 15984509
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 97350829
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
CID 143961926

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 123534585) is 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccc3NO)cs2)CC1.
What is the InChIKey of 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OAASZEUAEOBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-14(20)10-5-7-19(8-6-10)15-17-13(9-22-15)11-3-1-2-4-12(11)18-21/h1-4,9-10,18,21H,5-8H2,(H2,16,20).
What are the key properties of 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 123534585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).