2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol

C10H8Cl2N4OS — CID 168625560

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESNc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C10H8Cl2N4OS/c11-6-1-5(9(17)7(12)2-6)3-14-16-10-15-8(13)4-18-10/h1-4,17H,13H2,(H,15,16)
InChIKeyVYYATMSSFQURCB-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.18
Rot. Bonds3

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol (PubChem CID 168625560) has the molecular formula C10H8Cl2N4OS and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
PubChem CID168625560
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17 g/mol
Exact Mass301.98
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol
SMILESNc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1
InChIInChI=1S/C10H8Cl2N4OS/c11-6-1-5(9(17)7(12)2-6)3-14-16-10-15-8(13)4-18-10/h1-4,17H,13H2,(H,15,16)
InChIKeyVYYATMSSFQURCB-UHFFFAOYSA-N
XLogP3.18
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol (CID 168625560) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol is Nc1csc(NN=Cc2cc(Cl)cc(Cl)c2O)n1.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
The InChIKey is VYYATMSSFQURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4OS/c11-6-1-5(9(17)7(12)2-6)3-14-16-10-15-8(13)4-18-10/h1-4,17H,13H2,(H,15,16).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol has a molecular weight of 303.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4,6-dichlorophenol is sourced from PubChem (CID 168625560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).