2-benzyl-4-methyl-1,3-thiazole;ethane

C13H17NS — CID 91344843

IUPAC2-benzyl-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C11H11NS.C2H6/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-2/h2-6,8H,7H2,1H3;1-2H3
InChIKeyGTUPVDBULGCQHH-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.07
Rot. Bonds2

About 2-benzyl-4-methyl-1,3-thiazole;ethane

2-benzyl-4-methyl-1,3-thiazole;ethane (PubChem CID 91344843) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-benzyl-4-methyl-1,3-thiazole;ethane.

Molecular Properties

Compound Name2-benzyl-4-methyl-1,3-thiazole;ethane
PubChem CID91344843
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2-benzyl-4-methyl-1,3-thiazole;ethane
SMILESCC.Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C11H11NS.C2H6/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-2/h2-6,8H,7H2,1H3;1-2H3
InChIKeyGTUPVDBULGCQHH-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
CID 9422762
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-amine
CID 62795679
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole
CID 138979346
2-ethyl-4-methyl-1,3-thiazole
CID 27440
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutane-1,2-diamine
CID 114929622

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;ethane?
The IUPAC name of 2-benzyl-4-methyl-1,3-thiazole;ethane (CID 91344843) is 2-benzyl-4-methyl-1,3-thiazole;ethane.
What is the SMILES notation for 2-benzyl-4-methyl-1,3-thiazole;ethane?
The canonical SMILES for 2-benzyl-4-methyl-1,3-thiazole;ethane is CC.Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4-methyl-1,3-thiazole;ethane?
The InChIKey is GTUPVDBULGCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-9-8-13-11(12-9)7-10-5-3-2-4-6-10;1-2/h2-6,8H,7H2,1H3;1-2H3.
What are the key properties of 2-benzyl-4-methyl-1,3-thiazole;ethane?
2-benzyl-4-methyl-1,3-thiazole;ethane has a molecular weight of 219.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-1,3-thiazole;ethane is sourced from PubChem (CID 91344843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).