2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide

C17H23N3OS — CID 9122743

IUPAC2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
SMILESCc1nc(/C=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H23N3OS/c1-11-19-15(10-22-11)9-18-20-16(21)8-17-5-12-2-13(6-17)4-14(3-12)7-17/h9-10,12-14H,2-8H2,1H3,(H,20,21)/b18-9-
InChIKeyXQVNGZQBFIZTKT-NVMNQCDNSA-N
MW317.46 g/mol
LogP3.51
Rot. Bonds4

About 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide

2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide (PubChem CID 9122743) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
PubChem CID9122743
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
SMILESCc1nc(/C=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H23N3OS/c1-11-19-15(10-22-11)9-18-20-16(21)8-17-5-12-2-13(6-17)4-14(3-12)7-17/h9-10,12-14H,2-8H2,1H3,(H,20,21)/b18-9-
InChIKeyXQVNGZQBFIZTKT-NVMNQCDNSA-N
XLogP3.51
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(1-adamantyl)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 3309267
2-(1-adamantyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 9122763
2-(1-adamantyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135816259
2-(1-adamantyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6006199
4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9466150
2-(1-adamantyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide
CID 9060397
2-bromo-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9016496
2-(1-adamantyl)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9122728
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
2-(1-adamantyl)-N-(2,3,4,5,6-pentahydroxyhexylideneamino)acetamide
CID 5158678
2-(1-adamantyl)-N-[(E)-[3-hydroxy-2-(4-methoxyphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]acetamide
CID 135678655

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide (CID 9122743) is 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide is Cc1nc(/C=N\NC(=O)CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
The InChIKey is XQVNGZQBFIZTKT-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11-19-15(10-22-11)9-18-20-16(21)8-17-5-12-2-13(6-17)4-14(3-12)7-17/h9-10,12-14H,2-8H2,1H3,(H,20,21)/b18-9-.
What are the key properties of 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide?
2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 9122743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).