2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid

C12H17N3O3S — CID 77013325

IUPAC2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
SMILESCc1nc(N2CCCCC2)sc1C=NOCC(=O)O
InChIInChI=1S/C12H17N3O3S/c1-9-10(7-13-18-8-11(16)17)19-12(14-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,17)
InChIKeyCBYNZJFQXZURDO-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.88
Rot. Bonds5

About 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid

2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid (PubChem CID 77013325) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
PubChem CID77013325
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
SMILESCc1nc(N2CCCCC2)sc1C=NOCC(=O)O
InChIInChI=1S/C12H17N3O3S/c1-9-10(7-13-18-8-11(16)17)19-12(14-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,17)
InChIKeyCBYNZJFQXZURDO-UHFFFAOYSA-N
XLogP1.88
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-{[4-methyl-2-(piperidin-1-yl)-1,3-thiazol-5-yl]methylidene}hydroxylamine
CID 60639595
2-[1-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-4-yl]oxyacetic acid
CID 65169886
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
CID 73010816
2-[(4-Methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
CID 77013189
(NZ)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
CID 94671573
3-[(4,5-Dimethyl-1,3-thiazol-2-yl)-(2-piperidin-1-ylethyl)amino]propanoic acid
CID 95508684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid (CID 77013325) is 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid is Cc1nc(N2CCCCC2)sc1C=NOCC(=O)O.
What is the InChIKey of 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The InChIKey is CBYNZJFQXZURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-10(7-13-18-8-11(16)17)19-12(14-9)15-5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).