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

C7H9NO3S — CID 126970901

IUPAC[4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(C2OCCO2)cs1
InChIInChI=1S/C7H9NO3S/c9-3-6-8-5(4-12-6)7-10-1-2-11-7/h4,7,9H,1-3H2
InChIKeyPZBQWBFDQOHHGL-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.68
Rot. Bonds2

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

[4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 126970901) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol
PubChem CID126970901
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name[4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(C2OCCO2)cs1
InChIInChI=1S/C7H9NO3S/c9-3-6-8-5(4-12-6)7-10-1-2-11-7/h4,7,9H,1-3H2
InChIKeyPZBQWBFDQOHHGL-UHFFFAOYSA-N
XLogP0.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol (CID 126970901) is [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(C2OCCO2)cs1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is PZBQWBFDQOHHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c9-3-6-8-5(4-12-6)7-10-1-2-11-7/h4,7,9H,1-3H2.
What are the key properties of [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol?
[4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 187.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 126970901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).