4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

C12H14N4O3S — CID 64829448

IUPAC4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC1(C)C2C(=O)N(Cc3csc(C(=O)NN)n3)C(=O)C21
InChIInChI=1S/C12H14N4O3S/c1-12(2)6-7(12)11(19)16(10(6)18)3-5-4-20-9(14-5)8(17)15-13/h4,6-7H,3,13H2,1-2H3,(H,15,17)
InChIKeyDRKPCCOWEDPCEO-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.11
Rot. Bonds3

About 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide

4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 64829448) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID64829448
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC1(C)C2C(=O)N(Cc3csc(C(=O)NN)n3)C(=O)C21
InChIInChI=1S/C12H14N4O3S/c1-12(2)6-7(12)11(19)16(10(6)18)3-5-4-20-9(14-5)8(17)15-13/h4,6-7H,3,13H2,1-2H3,(H,15,17)
InChIKeyDRKPCCOWEDPCEO-UHFFFAOYSA-N
XLogP-0.11
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.11
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572048
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 81116115
4-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213098
4-[(2-oxo-1,3-thiazolidin-3-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63578678
4-[(2,2,6-trimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212685
4-[(3-methylindol-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63577602
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thiophene-2-carbohydrazide
CID 64828866
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
4-[(4-methyl-2,5-dioxopiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 79942412
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63979914
4-[(2-oxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63572610
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768

Frequently Asked Questions

What is the IUPAC name of 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide (CID 64829448) is 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is CC1(C)C2C(=O)N(Cc3csc(C(=O)NN)n3)C(=O)C21.
What is the InChIKey of 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is DRKPCCOWEDPCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-12(2)6-7(12)11(19)16(10(6)18)3-5-4-20-9(14-5)8(17)15-13/h4,6-7H,3,13H2,1-2H3,(H,15,17).
What are the key properties of 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 294.34 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 64829448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).