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

C12H12ClN3OS2 — CID 2821247

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClN3OS2/c13-9-3-1-8(2-4-9)10-5-19-12(15-10)7-18-6-11(17)16-14/h1-5H,6-7,14H2,(H,16,17)
InChIKeyZGTUSQDWNQACDF-UHFFFAOYSA-N
MW313.84 g/mol
LogP2.69
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide (PubChem CID 2821247) has the molecular formula C12H12ClN3OS2 and a molecular weight of 313.84 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide
PubChem CID2821247
Molecular FormulaC12H12ClN3OS2
Molecular Weight313.84 g/mol
Exact Mass313.01
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClN3OS2/c13-9-3-1-8(2-4-9)10-5-19-12(15-10)7-18-6-11(17)16-14/h1-5H,6-7,14H2,(H,16,17)
InChIKeyZGTUSQDWNQACDF-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.84
LogP ≤ 52.69
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'}

Analyze 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide with MolForge

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Related Compounds

2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743521
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
N'5-isobutyryl-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 2743523
2-{[(4-Phenyl-1,3-thiazol-2-yl)methyl]thio}ethanohydrazide
CID 2821259
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
N-(2-(2-(4-chlorophenyl)-1,3-thiazol-4-yl)ethyl)butanamide
CID 7518316
2-(4-Phenyl-1,3-thiazol-2-yl)acetamide
CID 712446
4-[4-(4-chlorophenyl)thiazol-2-yl]-1H-pyridin-2-one
CID 118709512
(5Z)-5-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137633459
2-(2-Phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-(4-Chlorophenyl)-4-methylthiazole
CID 551909

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide (CID 2821247) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide is NNC(=O)CSCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide?
The InChIKey is ZGTUSQDWNQACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS2/c13-9-3-1-8(2-4-9)10-5-19-12(15-10)7-18-6-11(17)16-14/h1-5H,6-7,14H2,(H,16,17).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide has a molecular weight of 313.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylsulfanyl]acetohydrazide is sourced from PubChem (CID 2821247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).