4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one

C7H7NO4S — CID 134846739

IUPAC4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CO)(c2nccs2)O1
InChIInChI=1S/C7H7NO4S/c9-3-7(4-11-6(10)12-7)5-8-1-2-13-5/h1-2,9H,3-4H2
InChIKeyPTXAUAWHMVPCAM-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.50
Rot. Bonds2

About 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one

4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one (PubChem CID 134846739) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
PubChem CID134846739
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CO)(c2nccs2)O1
InChIInChI=1S/C7H7NO4S/c9-3-7(4-11-6(10)12-7)5-8-1-2-13-5/h1-2,9H,3-4H2
InChIKeyPTXAUAWHMVPCAM-UHFFFAOYSA-N
XLogP0.50
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methyl-1,3-dioxolan-2-yl)thiazole
CID 11298213
3-(Thiazole-2-yl)-oxetan-3-ol
CID 66521762
(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-(2,2,4-Trimethyl-1,3-dioxolan-4-yl)-1,3-thiazole
CID 21760656
2-(1-Hydroxy-2-(methoxymethoxy)ethyl)thiazole
CID 22406940
2,2-Dimethyl-5-(thiazol-2-yl)-1,3-dioxan-5-ol
CID 58513749
2-(2-Chloro-1,3-dioxolan-4-yl)-1,3-thiazole
CID 69552500
2-(1,3-Thiazol-2-yl)propane-1,2-diol
CID 82714226
[2-(1,3-Thiazol-2-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 139702297
2-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1,3-thiazole
CID 146570752
(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol
CID 146570799

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one (CID 134846739) is 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one is O=C1OCC(CO)(c2nccs2)O1.
What is the InChIKey of 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one?
The InChIKey is PTXAUAWHMVPCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c9-3-7(4-11-6(10)12-7)5-8-1-2-13-5/h1-2,9H,3-4H2.
What are the key properties of 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one?
4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one has a molecular weight of 201.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one is sourced from PubChem (CID 134846739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).