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

C9H13NOS2 — CID 115029322

IUPAC2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(C2CCCS2)cs1
InChIInChI=1S/C9H13NOS2/c11-4-3-9-10-7(6-13-9)8-2-1-5-12-8/h6,8,11H,1-5H2
InChIKeyMLQOKMYVFRPNBZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.25
Rot. Bonds3

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

2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 115029322) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID115029322
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol
SMILESOCCc1nc(C2CCCS2)cs1
InChIInChI=1S/C9H13NOS2/c11-4-3-9-10-7(6-13-9)8-2-1-5-12-8/h6,8,11H,1-5H2
InChIKeyMLQOKMYVFRPNBZ-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol (CID 115029322) is 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol is OCCc1nc(C2CCCS2)cs1.
What is the InChIKey of 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is MLQOKMYVFRPNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c11-4-3-9-10-7(6-13-9)8-2-1-5-12-8/h6,8,11H,1-5H2.
What are the key properties of 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol?
2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiolan-2-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 115029322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).