2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane

C16H25NS — CID 144625249

IUPAC2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane
SMILESCC.CC.Cc1cnc(-c2cccc(C)c2C)s1
InChIInChI=1S/C12H13NS.2C2H6/c1-8-5-4-6-11(10(8)3)12-13-7-9(2)14-12;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyPHUOVUBBHMEMPI-UHFFFAOYSA-N
MW263.45 g/mol
LogP5.79
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane

2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane (PubChem CID 144625249) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane
PubChem CID144625249
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane
SMILESCC.CC.Cc1cnc(-c2cccc(C)c2C)s1
InChIInChI=1S/C12H13NS.2C2H6/c1-8-5-4-6-11(10(8)3)12-13-7-9(2)14-12;2*1-2/h4-7H,1-3H3;2*1-2H3
InChIKeyPHUOVUBBHMEMPI-UHFFFAOYSA-N
XLogP5.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.45
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
4-(5-methyl-1,3-thiazol-2-yl)pyridin-3-amine
CID 82403303
[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
CID 142858663
[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 21326067
4-(2,3-dimethylphenyl)pyrimidine;ethane
CID 144625343
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
6-(5-methyl-1,3-thiazol-2-yl)pyridin-2-amine
CID 89132785
3-(2,3-dimethylphenyl)-4,5-dimethylpyridine
CID 146588490
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
ethane;1,2,3-trimethylbenzene
CID 54068667
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane?
The IUPAC name of 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane (CID 144625249) is 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane?
The canonical SMILES for 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane is CC.CC.Cc1cnc(-c2cccc(C)c2C)s1.
What is the InChIKey of 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane?
The InChIKey is PHUOVUBBHMEMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.2C2H6/c1-8-5-4-6-11(10(8)3)12-13-7-9(2)14-12;2*1-2/h4-7H,1-3H3;2*1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane?
2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane has a molecular weight of 263.45 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 144625249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).