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

C14H17N3O2S — CID 115465599

IUPAC2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
SMILESCc1sc(=O)n(Cc2ccccc2CC(=O)NN)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)20-14(19)17(9)8-12-6-4-3-5-11(12)7-13(18)16-15/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyDTGIPVPXYVMQCB-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.11
Rot. Bonds4

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

2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465599) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
PubChem CID115465599
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide
SMILESCc1sc(=O)n(Cc2ccccc2CC(=O)NN)c1C
InChIInChI=1S/C14H17N3O2S/c1-9-10(2)20-14(19)17(9)8-12-6-4-3-5-11(12)7-13(18)16-15/h3-6H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyDTGIPVPXYVMQCB-UHFFFAOYSA-N
XLogP1.11
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide (CID 115465599) is 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide is Cc1sc(=O)n(Cc2ccccc2CC(=O)NN)c1C.
What is the InChIKey of 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide?
The InChIKey is DTGIPVPXYVMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-10(2)20-14(19)17(9)8-12-6-4-3-5-11(12)7-13(18)16-15/h3-6H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide?
2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide has a molecular weight of 291.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).