ethane;3-methyl-1,2-thiazole;toluene

C15H25NS — CID 90730574

IUPACethane;3-methyl-1,2-thiazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccsn1
InChIInChI=1S/C7H8.C4H5NS.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyUUJVMQADXCIHKE-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.50
Rot. Bonds

About ethane;3-methyl-1,2-thiazole;toluene

ethane;3-methyl-1,2-thiazole;toluene (PubChem CID 90730574) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is ethane;3-methyl-1,2-thiazole;toluene.

Molecular Properties

Compound Nameethane;3-methyl-1,2-thiazole;toluene
PubChem CID90730574
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Nameethane;3-methyl-1,2-thiazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccsn1
InChIInChI=1S/C7H8.C4H5NS.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3
InChIKeyUUJVMQADXCIHKE-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2-thiazole;toluene?
The IUPAC name of ethane;3-methyl-1,2-thiazole;toluene (CID 90730574) is ethane;3-methyl-1,2-thiazole;toluene.
What is the SMILES notation for ethane;3-methyl-1,2-thiazole;toluene?
The canonical SMILES for ethane;3-methyl-1,2-thiazole;toluene is CC.CC.Cc1ccccc1.Cc1ccsn1.
What is the InChIKey of ethane;3-methyl-1,2-thiazole;toluene?
The InChIKey is UUJVMQADXCIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H5NS.2C2H6/c1-7-5-3-2-4-6-7;1-4-2-3-6-5-4;2*1-2/h2-6H,1H3;2-3H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,2-thiazole;toluene?
ethane;3-methyl-1,2-thiazole;toluene has a molecular weight of 251.44 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2-thiazole;toluene is sourced from PubChem (CID 90730574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).