2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)

C20H38N2S2 — CID 144533508

IUPAC2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)
SMILESCCCCCCC.CCCCCCC.Cc1nc2sc(C)nc2s1
InChIInChI=1S/2C7H16.C6H6N2S2/c2*1-3-5-7-6-4-2;1-3-7-5-6(9-3)8-4(2)10-5/h2*3-7H2,1-2H3;1-2H3
InChIKeyGFSPTAYQLSDWFV-UHFFFAOYSA-N
MW370.67 g/mol
LogP8.32
Rot. Bonds8

About 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)

2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane) (PubChem CID 144533508) has the molecular formula C20H38N2S2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane).

Molecular Properties

Compound Name2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)
PubChem CID144533508
Molecular FormulaC20H38N2S2
Molecular Weight370.67 g/mol
Exact Mass370.25
IUPAC Name2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)
SMILESCCCCCCC.CCCCCCC.Cc1nc2sc(C)nc2s1
InChIInChI=1S/2C7H16.C6H6N2S2/c2*1-3-5-7-6-4-2;1-3-7-5-6(9-3)8-4(2)10-5/h2*3-7H2,1-2H3;1-2H3
InChIKeyGFSPTAYQLSDWFV-UHFFFAOYSA-N
XLogP8.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)?
The IUPAC name of 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane) (CID 144533508) is 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane).
What is the SMILES notation for 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)?
The canonical SMILES for 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane) is CCCCCCC.CCCCCCC.Cc1nc2sc(C)nc2s1.
What is the InChIKey of 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)?
The InChIKey is GFSPTAYQLSDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.C6H6N2S2/c2*1-3-5-7-6-4-2;1-3-7-5-6(9-3)8-4(2)10-5/h2*3-7H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane)?
2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane) has a molecular weight of 370.67 g/mol, XLogP of 8.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;bis(heptane) is sourced from PubChem (CID 144533508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).