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

C15H19N3O2S — CID 2870779

IUPACN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide
SMILESNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H19N3O2S/c16-12(19)13(20)18-14-17-11(7-21-14)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H2,16,19)(H,17,18,20)
InChIKeyICDQYROAJOSYJG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.03
Rot. Bonds2

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

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide (PubChem CID 2870779) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide.

Molecular Properties

Compound NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide
PubChem CID2870779
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide
SMILESNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C15H19N3O2S/c16-12(19)13(20)18-14-17-11(7-21-14)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H2,16,19)(H,17,18,20)
InChIKeyICDQYROAJOSYJG-UHFFFAOYSA-N
XLogP2.03
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]oxamide?
The IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide (CID 2870779) is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide.
What is the SMILES notation for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide?
The canonical SMILES for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide is NC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide?
The InChIKey is ICDQYROAJOSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-12(19)13(20)18-14-17-11(7-21-14)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H2,16,19)(H,17,18,20).
What are the key properties of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide?
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide has a molecular weight of 305.40 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 2870779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).