ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C18H33N3S3 — CID 159901643

IUPACethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/3C4H5NS.3C2H6/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-2/h3*2-3H,1H3;3*1-2H3
InChIKeyNWANQXQPQZXXLT-UHFFFAOYSA-N
MW387.68 g/mol
LogP7.43
Rot. Bonds

About ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159901643) has the molecular formula C18H33N3S3 and a molecular weight of 387.68 g/mol. Its IUPAC name is ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID159901643
Molecular FormulaC18H33N3S3
Molecular Weight387.68 g/mol
Exact Mass387.18
IUPAC Nameethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1
InChIInChI=1S/3C4H5NS.3C2H6/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-2/h3*2-3H,1H3;3*1-2H3
InChIKeyNWANQXQPQZXXLT-UHFFFAOYSA-N
XLogP7.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.68
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159901643) is ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.Cc1cncs1.Cc1cscn1.Cc1nccs1.
What is the InChIKey of ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is NWANQXQPQZXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H5NS.3C2H6/c1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;3*1-2/h3*2-3H,1H3;3*1-2H3.
What are the key properties of ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 387.68 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159901643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).