2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol

C8H13NO2S — CID 127002572

IUPAC2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCOC(C)(C)C(O)c1ccsn1
InChIInChI=1S/C8H13NO2S/c1-8(2,11-3)7(10)6-4-5-12-9-6/h4-5,7,10H,1-3H3
InChIKeyPKKIKRHKEVXQDI-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds3

About 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol

2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol (PubChem CID 127002572) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
PubChem CID127002572
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol
SMILESCOC(C)(C)C(O)c1ccsn1
InChIInChI=1S/C8H13NO2S/c1-8(2,11-3)7(10)6-4-5-12-9-6/h4-5,7,10H,1-3H3
InChIKeyPKKIKRHKEVXQDI-UHFFFAOYSA-N
XLogP1.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19017861
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CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715
6-(1,2-Thiazol-3-yl)-1,4-dioxepan-6-ol
CID 126985767
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The IUPAC name of 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol (CID 127002572) is 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The canonical SMILES for 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol is COC(C)(C)C(O)c1ccsn1.
What is the InChIKey of 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
The InChIKey is PKKIKRHKEVXQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-8(2,11-3)7(10)6-4-5-12-9-6/h4-5,7,10H,1-3H3.
What are the key properties of 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol?
2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol has a molecular weight of 187.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(1,2-thiazol-3-yl)propan-1-ol is sourced from PubChem (CID 127002572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).