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

C8H13NO2S — CID 116503382

IUPAC[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCOCC(C)c1ncc(CO)s1
InChIInChI=1S/C8H13NO2S/c1-6(5-11-2)8-9-3-7(4-10)12-8/h3,6,10H,4-5H2,1-2H3
InChIKeyPPLCPSIJGQVVPG-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.39
Rot. Bonds4

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

[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 116503382) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID116503382
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCOCC(C)c1ncc(CO)s1
InChIInChI=1S/C8H13NO2S/c1-6(5-11-2)8-9-3-7(4-10)12-8/h3,6,10H,4-5H2,1-2H3
InChIKeyPPLCPSIJGQVVPG-UHFFFAOYSA-N
XLogP1.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol (CID 116503382) is [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol is COCC(C)c1ncc(CO)s1.
What is the InChIKey of [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PPLCPSIJGQVVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-6(5-11-2)8-9-3-7(4-10)12-8/h3,6,10H,4-5H2,1-2H3.
What are the key properties of [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 187.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 116503382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).