5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole

C4H4Cl2N4S — CID 130738892

IUPAC5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole
SMILESN/N=N/Cc1snc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N4S/c5-3-2(1-8-10-7)11-9-4(3)6/h1H2,(H2,7,8)
InChIKeyWOXNXHCGZJBBMC-UHFFFAOYSA-N
MW211.08 g/mol
LogP2.28
Rot. Bonds2

About 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole

5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole (PubChem CID 130738892) has the molecular formula C4H4Cl2N4S and a molecular weight of 211.08 g/mol. Its IUPAC name is 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole.

Molecular Properties

Compound Name5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole
PubChem CID130738892
Molecular FormulaC4H4Cl2N4S
Molecular Weight211.08 g/mol
Exact Mass209.95
IUPAC Name5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole
SMILESN/N=N/Cc1snc(Cl)c1Cl
InChIInChI=1S/C4H4Cl2N4S/c5-3-2(1-8-10-7)11-9-4(3)6/h1H2,(H2,7,8)
InChIKeyWOXNXHCGZJBBMC-UHFFFAOYSA-N
XLogP2.28
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.08
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole?
The IUPAC name of 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole (CID 130738892) is 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole.
What is the SMILES notation for 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole?
The canonical SMILES for 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole is N/N=N/Cc1snc(Cl)c1Cl.
What is the InChIKey of 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole?
The InChIKey is WOXNXHCGZJBBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N4S/c5-3-2(1-8-10-7)11-9-4(3)6/h1H2,(H2,7,8).
What are the key properties of 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole?
5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole has a molecular weight of 211.08 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(aminodiazenyl)methyl]-3,4-dichloro-1,2-thiazole is sourced from PubChem (CID 130738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).