1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol

C9H13NOS2 — CID 115089750

IUPAC1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCSC2)s1
InChIInChI=1S/C9H13NOS2/c1-6(11)8-4-10-9(13-8)7-2-3-12-5-7/h4,6-7,11H,2-3,5H2,1H3
InChIKeyRJUVDXYRUFAWSN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115089750) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID115089750
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCSC2)s1
InChIInChI=1S/C9H13NOS2/c1-6(11)8-4-10-9(13-8)7-2-3-12-5-7/h4,6-7,11H,2-3,5H2,1H3
InChIKeyRJUVDXYRUFAWSN-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol (CID 115089750) is 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(C2CCSC2)s1.
What is the InChIKey of 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is RJUVDXYRUFAWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-6(11)8-4-10-9(13-8)7-2-3-12-5-7/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115089750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).