[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol

C8H11NO3S — CID 139702297

IUPAC[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(Cc2nccs2)O1
InChIInChI=1S/C8H11NO3S/c10-4-6-5-11-8(12-6)3-7-9-1-2-13-7/h1-2,6,8,10H,3-5H2
InChIKeyXEZALTKHWUAUDL-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.42
Rot. Bonds3

About [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol

[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 139702297) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID139702297
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(Cc2nccs2)O1
InChIInChI=1S/C8H11NO3S/c10-4-6-5-11-8(12-6)3-7-9-1-2-13-7/h1-2,6,8,10H,3-5H2
InChIKeyXEZALTKHWUAUDL-UHFFFAOYSA-N
XLogP0.42
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
CID 14237955
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
CID 14237957
2-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-1,3-thiazole
CID 71400311
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yloxy)oxolane-3,4-diol
CID 91415398
4-(Hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
CID 134846739
1-(Oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 15475349
2-(1-Hydroxy-2-(methoxymethoxy)ethyl)thiazole
CID 22406940
2,2-Dimethyl-5-(thiazol-2-yl)-1,3-dioxan-5-ol
CID 58513749
2-(1,3-Thiazol-2-yl)-1,3-dioxan-5-ol
CID 67261307
1-(Methoxymethoxy)-2-(1,3-thiazol-2-yl)ethanol
CID 67808163
2-[2-(1,3-Thiazol-2-yl)ethoxy]ethanol
CID 141135134
3-(1,3-Thiazol-2-yl)oxiran-2-ol
CID 147660000

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 139702297) is [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol is OCC1COC(Cc2nccs2)O1.
What is the InChIKey of [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is XEZALTKHWUAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c10-4-6-5-11-8(12-6)3-7-9-1-2-13-7/h1-2,6,8,10H,3-5H2.
What are the key properties of [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 201.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 139702297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).