[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol

C9H13NOS2 — CID 115090327

IUPAC[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CCCSC2)s1
InChIInChI=1S/C9H13NOS2/c11-5-8-4-10-9(13-8)7-2-1-3-12-6-7/h4,7,11H,1-3,5-6H2
InChIKeyCLFWJFBQBPPUOJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.25
Rot. Bonds2

About [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol

[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 115090327) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
PubChem CID115090327
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC Name[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(C2CCCSC2)s1
InChIInChI=1S/C9H13NOS2/c11-5-8-4-10-9(13-8)7-2-1-3-12-6-7/h4,7,11H,1-3,5-6H2
InChIKeyCLFWJFBQBPPUOJ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol (CID 115090327) is [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(C2CCCSC2)s1.
What is the InChIKey of [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CLFWJFBQBPPUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c11-5-8-4-10-9(13-8)7-2-1-3-12-6-7/h4,7,11H,1-3,5-6H2.
What are the key properties of [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol?
[2-(thian-3-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-3-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 115090327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).