2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide

C12H12ClN3OS — CID 2741485

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NN
InChIInChI=1S/C12H12ClN3OS/c1-7-10(6-11(17)16-14)15-12(18-7)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyJIXBLEDMPOFODN-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.30
Rot. Bonds3

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

2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide (PubChem CID 2741485) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide
PubChem CID2741485
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NN
InChIInChI=1S/C12H12ClN3OS/c1-7-10(6-11(17)16-14)15-12(18-7)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,16,17)
InChIKeyJIXBLEDMPOFODN-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide (CID 2741485) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide is Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NN.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide?
The InChIKey is JIXBLEDMPOFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-10(6-11(17)16-14)15-12(18-7)8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide has a molecular weight of 281.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]acetohydrazide is sourced from PubChem (CID 2741485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).