2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole

C14H17NOS — CID 178133907

IUPAC2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
SMILESCCOc1ccc(C)cc1-c1ncc(CC)s1
InChIInChI=1S/C14H17NOS/c1-4-11-9-15-14(17-11)12-8-10(3)6-7-13(12)16-5-2/h6-9H,4-5H2,1-3H3
InChIKeyYCPQQGBTUCEWDR-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole

2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole (PubChem CID 178133907) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
PubChem CID178133907
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
SMILESCCOc1ccc(C)cc1-c1ncc(CC)s1
InChIInChI=1S/C14H17NOS/c1-4-11-9-15-14(17-11)12-8-10(3)6-7-13(12)16-5-2/h6-9H,4-5H2,1-3H3
InChIKeyYCPQQGBTUCEWDR-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-ethoxy-5-methylphenyl)-1,2-oxazol-5-yl]methanamine
CID 82371443
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
4-(2-ethoxy-5-methylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
CID 82362755
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106793138
5-ethyl-2-pyridin-4-yl-1,3-thiazole
CID 59113493
2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
CID 63386396
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106793139
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
CID 61312810

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole?
The IUPAC name of 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole (CID 178133907) is 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole is CCOc1ccc(C)cc1-c1ncc(CC)s1.
What is the InChIKey of 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole?
The InChIKey is YCPQQGBTUCEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-4-11-9-15-14(17-11)12-8-10(3)6-7-13(12)16-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole?
2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole has a molecular weight of 247.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole is sourced from PubChem (CID 178133907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).