ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole

C13H17NS — CID 156851577

IUPACethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCC.Cc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-9(2)12-7-13-11;1-2/h3-7H,1-2H3;1-2H3
InChIKeyNDDUYVRBESHWFK-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.45
Rot. Bonds1

About ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole

ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole (PubChem CID 156851577) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
PubChem CID156851577
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Nameethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
SMILESCC.Cc1ccc(-c2scnc2C)cc1
InChIInChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-9(2)12-7-13-11;1-2/h3-7H,1-2H3;1-2H3
InChIKeyNDDUYVRBESHWFK-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
5-(4-methylphenyl)-1,3-thiazol-4-amine
CID 82468817
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
CID 178063099
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
CID 141193696
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole (CID 156851577) is ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole is CC.Cc1ccc(-c2scnc2C)cc1.
What is the InChIKey of ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole?
The InChIKey is NDDUYVRBESHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.C2H6/c1-8-3-5-10(6-4-8)11-9(2)12-7-13-11;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole?
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole has a molecular weight of 219.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 156851577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).