5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide

C11H13N3O3S — CID 55213097

IUPAC5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
SMILESCc1sc(=O)n(Cc2ccc(C(=O)NN)o2)c1C
InChIInChI=1S/C11H13N3O3S/c1-6-7(2)18-11(16)14(6)5-8-3-4-9(17-8)10(15)13-12/h3-4H,5,12H2,1-2H3,(H,13,15)
InChIKeyPQHBFVUBNJIQGV-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.77
Rot. Bonds3

About 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide

5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide (PubChem CID 55213097) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
PubChem CID55213097
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
SMILESCc1sc(=O)n(Cc2ccc(C(=O)NN)o2)c1C
InChIInChI=1S/C11H13N3O3S/c1-6-7(2)18-11(16)14(6)5-8-3-4-9(17-8)10(15)13-12/h3-4H,5,12H2,1-2H3,(H,13,15)
InChIKeyPQHBFVUBNJIQGV-UHFFFAOYSA-N
XLogP0.77
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295252
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide
CID 63578730
5-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]furan-2-carbohydrazide
CID 79374701
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
CID 115465599
5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
CID 63572812
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213098
5-[(2-oxo-3-propylimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582724
5-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577239
5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 79937009
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide (CID 55213097) is 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide is Cc1sc(=O)n(Cc2ccc(C(=O)NN)o2)c1C.
What is the InChIKey of 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide?
The InChIKey is PQHBFVUBNJIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-6-7(2)18-11(16)14(6)5-8-3-4-9(17-8)10(15)13-12/h3-4H,5,12H2,1-2H3,(H,13,15).
What are the key properties of 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide?
5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide has a molecular weight of 267.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).