4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C18H23N7OS — CID 145105067

IUPAC4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1
InChIInChI=1S/C18H23N7OS/c1-26-24-13-6-10-25(11-7-13)16-5-2-4-14(21-16)15-12-27-18(22-15)23-17-19-8-3-9-20-17/h2,4-5,12H,3,6-11H2,1H3,(H2,19,20,22,23)
InChIKeyHLQBXRIMKHMBLG-UHFFFAOYSA-N
MW385.50 g/mol
LogP2.57
Rot. Bonds4

About 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145105067) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145105067
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC Name4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1
InChIInChI=1S/C18H23N7OS/c1-26-24-13-6-10-25(11-7-13)16-5-2-4-14(21-16)15-12-27-18(22-15)23-17-19-8-3-9-20-17/h2,4-5,12H,3,6-11H2,1H3,(H2,19,20,22,23)
InChIKeyHLQBXRIMKHMBLG-UHFFFAOYSA-N
XLogP2.57
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145105067) is 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CON=C1CCN(c2cccc(-c3csc(NC4=NCCCN4)n3)n2)CC1.
What is the InChIKey of 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HLQBXRIMKHMBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-26-24-13-6-10-25(11-7-13)16-5-2-4-14(21-16)15-12-27-18(22-15)23-17-19-8-3-9-20-17/h2,4-5,12H,3,6-11H2,1H3,(H2,19,20,22,23).
What are the key properties of 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 385.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxyiminopiperidin-1-yl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145105067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).