ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole

C15H23NS — CID 142374611

IUPACethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
SMILESCC.CC.Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C11H11NS.2C2H6/c1-8-4-3-5-10(6-8)11-7-13-9(2)12-11;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyDKIJYXZLUDJARP-UHFFFAOYSA-N
MW249.42 g/mol
LogP5.48
Rot. Bonds1

About ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole

ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole (PubChem CID 142374611) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
PubChem CID142374611
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Nameethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
SMILESCC.CC.Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C11H11NS.2C2H6/c1-8-4-3-5-10(6-8)11-7-13-9(2)12-11;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyDKIJYXZLUDJARP-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035902
[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methylazanium chloride
CID 10776459
4-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 62943868
2-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105473201
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-cyclopropyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62941085
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
3-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 115039739
2-amino-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966783
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole?
The IUPAC name of ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole (CID 142374611) is ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole?
The canonical SMILES for ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole is CC.CC.Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole?
The InChIKey is DKIJYXZLUDJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.2C2H6/c1-8-4-3-5-10(6-8)11-7-13-9(2)12-11;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole?
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole has a molecular weight of 249.42 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 142374611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).