N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide

C17H23N3O3S — CID 2870696

IUPACN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H23N3O3S/c21-2-1-18-14(22)15(23)20-16-19-13(9-24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,1-8H2,(H,18,22)(H,19,20,23)
InChIKeyLXWQGLFQDFDKLS-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.66
Rot. Bonds4

About N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide (PubChem CID 2870696) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide
PubChem CID2870696
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide
SMILESO=C(NCCO)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H23N3O3S/c21-2-1-18-14(22)15(23)20-16-19-13(9-24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,1-8H2,(H,18,22)(H,19,20,23)
InChIKeyLXWQGLFQDFDKLS-UHFFFAOYSA-N
XLogP1.66
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide (CID 2870696) is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide is O=C(NCCO)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide?
The InChIKey is LXWQGLFQDFDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-2-1-18-14(22)15(23)20-16-19-13(9-24-16)17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,1-8H2,(H,18,22)(H,19,20,23).
What are the key properties of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide?
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide has a molecular weight of 349.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 2870696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).