5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole

C15H17NS — CID 163734246

IUPAC5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole
SMILESC=C(C)c1ccc(-c2scnc2C)cc1CC
InChIInChI=1S/C15H17NS/c1-5-12-8-13(6-7-14(12)10(2)3)15-11(4)16-9-17-15/h6-9H,2,5H2,1,3-4H3
InChIKeyLCFPTTUSIXNYTP-UHFFFAOYSA-N
MW243.37 g/mol
LogP4.71
Rot. Bonds3

About 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole

5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole (PubChem CID 163734246) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole
PubChem CID163734246
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole
SMILESC=C(C)c1ccc(-c2scnc2C)cc1CC
InChIInChI=1S/C15H17NS/c1-5-12-8-13(6-7-14(12)10(2)3)15-11(4)16-9-17-15/h6-9H,2,5H2,1,3-4H3
InChIKeyLCFPTTUSIXNYTP-UHFFFAOYSA-N
XLogP4.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-ethyl-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]methylhydrazine
CID 163266043
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
ethyl-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]carbamic acid
CID 126602141
2-[(ethynylamino)methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenol
CID 174303519
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
3-(4-methyl-1,3-thiazol-5-yl)aniline
CID 165438455
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
CID 139531198
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole (CID 163734246) is 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole is C=C(C)c1ccc(-c2scnc2C)cc1CC.
What is the InChIKey of 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is LCFPTTUSIXNYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-5-12-8-13(6-7-14(12)10(2)3)15-11(4)16-9-17-15/h6-9H,2,5H2,1,3-4H3.
What are the key properties of 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole?
5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 243.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-prop-1-en-2-ylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 163734246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).