4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole

C13H15NOS2 — CID 116969974

IUPAC4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCCSc1ccc(-c2csc(COC)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)12-9-17-13(14-12)8-15-2/h4-7,9H,3,8H2,1-2H3
InChIKeyWUGQULRTJYYKQH-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.07
Rot. Bonds5

About 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole

4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole (PubChem CID 116969974) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
PubChem CID116969974
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCCSc1ccc(-c2csc(COC)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)12-9-17-13(14-12)8-15-2/h4-7,9H,3,8H2,1-2H3
InChIKeyWUGQULRTJYYKQH-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
3-[2-(methoxymethyl)-1,3-thiazol-4-yl]benzonitrile
CID 55220678
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
2-(4-ethylsulfanylphenyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 106849572
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole (CID 116969974) is 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole is CCSc1ccc(-c2csc(COC)n2)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is WUGQULRTJYYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-3-16-11-6-4-10(5-7-11)12-9-17-13(14-12)8-15-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole?
4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 265.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 116969974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).