[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol

C10H15NOS3 — CID 115389243

IUPAC[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1SCCSC1c1ncc(CO)s1
InChIInChI=1S/C10H15NOS3/c1-2-8-9(14-4-3-13-8)10-11-5-7(6-12)15-10/h5,8-9,12H,2-4,6H2,1H3
InChIKeyJRJZATQBANJYOG-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.94
Rot. Bonds3

About [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol

[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 115389243) has the molecular formula C10H15NOS3 and a molecular weight of 261.44 g/mol. Its IUPAC name is [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID115389243
Molecular FormulaC10H15NOS3
Molecular Weight261.44 g/mol
Exact Mass261.03
IUPAC Name[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCCC1SCCSC1c1ncc(CO)s1
InChIInChI=1S/C10H15NOS3/c1-2-8-9(14-4-3-13-8)10-11-5-7(6-12)15-10/h5,8-9,12H,2-4,6H2,1H3
InChIKeyJRJZATQBANJYOG-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol (CID 115389243) is [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol is CCC1SCCSC1c1ncc(CO)s1.
What is the InChIKey of [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is JRJZATQBANJYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS3/c1-2-8-9(14-4-3-13-8)10-11-5-7(6-12)15-10/h5,8-9,12H,2-4,6H2,1H3.
What are the key properties of [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 261.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 115389243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).