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

C6H12NS+ — CID 91588597

IUPACethane;3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1.[CH2+]C
InChIInChI=1S/C4H7NS.C2H5/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1H2,2H3/q;+1
InChIKeyAARSIZKUEYBGEU-UHFFFAOYSA-N
MW130.24 g/mol
LogP1.93
Rot. Bonds

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

ethane;3-methyl-2H-1,3-thiazole (PubChem CID 91588597) has the molecular formula C6H12NS+ and a molecular weight of 130.24 g/mol. Its IUPAC name is ethane;3-methyl-2H-1,3-thiazole.

Molecular Properties

Compound Nameethane;3-methyl-2H-1,3-thiazole
PubChem CID91588597
Molecular FormulaC6H12NS+
Molecular Weight130.24 g/mol
Exact Mass130.07
IUPAC Nameethane;3-methyl-2H-1,3-thiazole
SMILESCN1C=CSC1.[CH2+]C
InChIInChI=1S/C4H7NS.C2H5/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1H2,2H3/q;+1
InChIKeyAARSIZKUEYBGEU-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-1,3-thiazole?
The IUPAC name of ethane;3-methyl-2H-1,3-thiazole (CID 91588597) is ethane;3-methyl-2H-1,3-thiazole.
What is the SMILES notation for ethane;3-methyl-2H-1,3-thiazole?
The canonical SMILES for ethane;3-methyl-2H-1,3-thiazole is CN1C=CSC1.[CH2+]C.
What is the InChIKey of ethane;3-methyl-2H-1,3-thiazole?
The InChIKey is AARSIZKUEYBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS.C2H5/c1-5-2-3-6-4-5;1-2/h2-3H,4H2,1H3;1H2,2H3/q;+1.
What are the key properties of ethane;3-methyl-2H-1,3-thiazole?
ethane;3-methyl-2H-1,3-thiazole has a molecular weight of 130.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-1,3-thiazole is sourced from PubChem (CID 91588597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).