N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

C17H12N4O4S — CID 46652781

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cnc3sccn3c2=O)oc2ccccc12
InChIInChI=1S/C17H12N4O4S/c1-9-10-4-2-3-5-12(10)25-13(9)15(23)20-19-14(22)11-8-18-17-21(16(11)24)6-7-26-17/h2-8H,1H3,(H,19,22)(H,20,23)
InChIKeyZGDZLTKNRPZZEX-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.89
Rot. Bonds2

About N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (PubChem CID 46652781) has the molecular formula C17H12N4O4S and a molecular weight of 368.37 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
PubChem CID46652781
Molecular FormulaC17H12N4O4S
Molecular Weight368.37 g/mol
Exact Mass368.06
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cnc3sccn3c2=O)oc2ccccc12
InChIInChI=1S/C17H12N4O4S/c1-9-10-4-2-3-5-12(10)25-13(9)15(23)20-19-14(22)11-8-18-17-21(16(11)24)6-7-26-17/h2-8H,1H3,(H,19,22)(H,20,23)
InChIKeyZGDZLTKNRPZZEX-UHFFFAOYSA-N
XLogP1.89
TPSA105.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.89
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'-(4-ethylbenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 134025231
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N-[(5-methylfuran-2-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46363937
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179672
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(2-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
CID 26813929
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
N'-(3-methyl-1-benzofuran-2-carbonyl)-2-phenylsulfanylpyridine-3-carbohydrazide
CID 24628583

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide (CID 46652781) is N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cnc3sccn3c2=O)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
The InChIKey is ZGDZLTKNRPZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4S/c1-9-10-4-2-3-5-12(10)25-13(9)15(23)20-19-14(22)11-8-18-17-21(16(11)24)6-7-26-17/h2-8H,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide has a molecular weight of 368.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 46652781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).