N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

C19H22N4O3S — CID 51257540

IUPACN'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C19H22N4O3S/c24-15(9-19-6-11-3-12(7-19)5-13(4-11)8-19)21-22-16(25)14-10-20-18-23(17(14)26)1-2-27-18/h1-2,10-13H,3-9H2,(H,21,24)(H,22,25)
InChIKeyNUUFWDBBHPTCCK-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.12
Rot. Bonds3

About N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (PubChem CID 51257540) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
PubChem CID51257540
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C19H22N4O3S/c24-15(9-19-6-11-3-12(7-19)5-13(4-11)8-19)21-22-16(25)14-10-20-18-23(17(14)26)1-2-27-18/h1-2,10-13H,3-9H2,(H,21,24)(H,22,25)
InChIKeyNUUFWDBBHPTCCK-UHFFFAOYSA-N
XLogP2.12
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (CID 51257540) is N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The InChIKey is NUUFWDBBHPTCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-15(9-19-6-11-3-12(7-19)5-13(4-11)8-19)21-22-16(25)14-10-20-18-23(17(14)26)1-2-27-18/h1-2,10-13H,3-9H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide has a molecular weight of 386.48 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 51257540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).