2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

C6H2Cl2N4S2 — CID 62870803

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESClc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C6H2Cl2N4S2/c7-3-10-4(8)12-5(11-3)14-6-9-1-2-13-6/h1-2H
InChIKeyHJMFKXPRLGSHSX-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.79
Rot. Bonds2

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole

2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (PubChem CID 62870803) has the molecular formula C6H2Cl2N4S2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
PubChem CID62870803
Molecular FormulaC6H2Cl2N4S2
Molecular Weight265.15 g/mol
Exact Mass263.91
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
SMILESClc1nc(Cl)nc(Sc2nccs2)n1
InChIInChI=1S/C6H2Cl2N4S2/c7-3-10-4(8)12-5(11-3)14-6-9-1-2-13-6/h1-2H
InChIKeyHJMFKXPRLGSHSX-UHFFFAOYSA-N
XLogP2.79
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole (CID 62870803) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is Clc1nc(Cl)nc(Sc2nccs2)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
The InChIKey is HJMFKXPRLGSHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N4S2/c7-3-10-4(8)12-5(11-3)14-6-9-1-2-13-6/h1-2H.
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole has a molecular weight of 265.15 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 62870803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).