2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol

C13H15NOS2 — CID 116867767

IUPAC2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCCSc1ccc(-c2csc(CCO)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(14-12)7-8-15/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKQXPXFVJTGLCPV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol

2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116867767) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID116867767
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
SMILESCCSc1ccc(-c2csc(CCO)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(14-12)7-8-15/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKQXPXFVJTGLCPV-UHFFFAOYSA-N
XLogP3.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
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]acetic acid
CID 4264597
4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969974
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867448
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116867771
4-(4-chlorophenyl)-2-ethylsulfanyl-1,3-thiazole
CID 19194234
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol (CID 116867767) is 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol is CCSc1ccc(-c2csc(CCO)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is KQXPXFVJTGLCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-2-16-11-5-3-10(4-6-11)12-9-17-13(14-12)7-8-15/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol?
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 265.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116867767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).