2,5-dimethyl-1,3-thiazole;ethane

C7H13NS — CID 123921924

IUPAC2,5-dimethyl-1,3-thiazole;ethane
SMILESCC.Cc1cnc(C)s1
InChIInChI=1S/C5H7NS.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H,1-2H3;1-2H3
InChIKeyRKYRJJORWUUEIH-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.79
Rot. Bonds

About 2,5-dimethyl-1,3-thiazole;ethane

2,5-dimethyl-1,3-thiazole;ethane (PubChem CID 123921924) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-thiazole;ethane
PubChem CID123921924
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2,5-dimethyl-1,3-thiazole;ethane
SMILESCC.Cc1cnc(C)s1
InChIInChI=1S/C5H7NS.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H,1-2H3;1-2H3
InChIKeyRKYRJJORWUUEIH-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
CID 158724311
2,5-dimethyl-1,3-thiazole;ethane;2-methylspiro[3.3]heptane
CID 166457843
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
CID 160729292
bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
CID 158743714
(5-methyl-1,3-thiazol-2-yl)boronic acid
CID 71463789
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
2-(113C)methyl-1,3-thiazol-5-amine
CID 132647797
ethane;2-methyl-5-piperidin-1-yl-1,3-thiazole
CID 163230037
2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
CID 159027146
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
ethane;2-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 143737006

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-thiazole;ethane?
The IUPAC name of 2,5-dimethyl-1,3-thiazole;ethane (CID 123921924) is 2,5-dimethyl-1,3-thiazole;ethane.
What is the SMILES notation for 2,5-dimethyl-1,3-thiazole;ethane?
The canonical SMILES for 2,5-dimethyl-1,3-thiazole;ethane is CC.Cc1cnc(C)s1.
What is the InChIKey of 2,5-dimethyl-1,3-thiazole;ethane?
The InChIKey is RKYRJJORWUUEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H6/c1-4-3-6-5(2)7-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1,3-thiazole;ethane?
2,5-dimethyl-1,3-thiazole;ethane has a molecular weight of 143.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-thiazole;ethane is sourced from PubChem (CID 123921924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).