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

C8H9NO3S — CID 141238128

IUPAC[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(c2ncc(CO)s2)OC=CO1
InChIInChI=1S/C8H9NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h2-4,10H,5H2,1H3
InChIKeyHWNZYAUAPHJMSU-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.33
Rot. Bonds2

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

[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 141238128) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID141238128
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC1(c2ncc(CO)s2)OC=CO1
InChIInChI=1S/C8H9NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h2-4,10H,5H2,1H3
InChIKeyHWNZYAUAPHJMSU-UHFFFAOYSA-N
XLogP1.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-pentan-3-yl-1,3-thiazol-5-yl)methanol
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[2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
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[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]methanol
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[2-(1,2-oxazol-5-yl)-1,3-thiazol-5-yl]methanol
CID 156641282
[2-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-5-yl]methanol
CID 130713176
[5-methyl-4-(2-methyl-1,3-dioxol-2-yl)-1,2-oxazol-3-yl]methanol
CID 141132476
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
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[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol
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2-(2-methyl-1,3-dioxol-2-yl)-1,3-oxazole
CID 141305779
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82191369
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
CID 62753317
1-[5-(fluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-ol
CID 84766423

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol (CID 141238128) is [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol is CC1(c2ncc(CO)s2)OC=CO1.
What is the InChIKey of [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HWNZYAUAPHJMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-8(11-2-3-12-8)7-9-4-6(5-10)13-7/h2-4,10H,5H2,1H3.
What are the key properties of [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 199.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-dioxol-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 141238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).