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

C16H14N4O3S — CID 134025231

IUPACN'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C16H14N4O3S/c1-2-10-3-5-11(6-4-10)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-24-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyDNALAMBYXNPNJX-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.39
Rot. Bonds3

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

N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (PubChem CID 134025231) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
PubChem CID134025231
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1
InChIInChI=1S/C16H14N4O3S/c1-2-10-3-5-11(6-4-10)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-24-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyDNALAMBYXNPNJX-UHFFFAOYSA-N
XLogP1.39
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.39
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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Related Compounds

N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652048
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46513264
N-[5-(ethylcarbamoyl)-2-methylphenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 131890652
(2R)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 107563516
N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652781
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179672
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154033
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 39920681
N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51253647
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (CID 134025231) is N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cnc3sccn3c2=O)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The InChIKey is DNALAMBYXNPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-2-10-3-5-11(6-4-10)13(21)18-19-14(22)12-9-17-16-20(15(12)23)7-8-24-16/h3-9H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide has a molecular weight of 342.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 134025231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).