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

C12H13N3OS2 — CID 2821259

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H13N3OS2/c13-15-11(16)7-17-8-12-14-10(6-18-12)9-4-2-1-3-5-9/h1-6H,7-8,13H2,(H,15,16)
InChIKeyKHVRWCSURNVFMH-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.03
Rot. Bonds5

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

2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide (PubChem CID 2821259) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide
PubChem CID2821259
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C12H13N3OS2/c13-15-11(16)7-17-8-12-14-10(6-18-12)9-4-2-1-3-5-9/h1-6H,7-8,13H2,(H,15,16)
InChIKeyKHVRWCSURNVFMH-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.03
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-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 560765
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 1478836
2-({[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]methyl}thio)ethanohydrazide
CID 2821247
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-Phenyl-2-thiazoleethanamine
CID 1497794
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
4-Methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 714543

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide (CID 2821259) is 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide is NNC(=O)CSCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide?
The InChIKey is KHVRWCSURNVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c13-15-11(16)7-17-8-12-14-10(6-18-12)9-4-2-1-3-5-9/h1-6H,7-8,13H2,(H,15,16).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide?
2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide has a molecular weight of 279.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 2821259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).