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'}

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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).