N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

C16H14N4O4S — CID 46652048

IUPACN'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C16H14N4O4S/c1-2-24-11-5-3-10(4-6-11)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-25-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyDFTRZZNQANYOLD-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.23
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (PubChem CID 46652048) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
PubChem CID46652048
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C16H14N4O4S/c1-2-24-11-5-3-10(4-6-11)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-25-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyDFTRZZNQANYOLD-UHFFFAOYSA-N
XLogP1.23
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51253647
N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51275890
5-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46449981
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 103890996
N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43417879
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-[2-(1-adamantyl)acetyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 51257540
N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652781
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (CID 46652048) is N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The InChIKey is DFTRZZNQANYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-2-24-11-5-3-10(4-6-11)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-25-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide has a molecular weight of 358.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 46652048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).