1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol

C9H15NO2S — CID 79823544

IUPAC1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-3-9(11,7-12-2)6-8-10-4-5-13-8/h4-5,11H,3,6-7H2,1-2H3
InChIKeyKYBCPCPNBVVUKS-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.47
Rot. Bonds5

About 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol

1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol (PubChem CID 79823544) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
PubChem CID79823544
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol
SMILESCCC(O)(COC)Cc1nccs1
InChIInChI=1S/C9H15NO2S/c1-3-9(11,7-12-2)6-8-10-4-5-13-8/h4-5,11H,3,6-7H2,1-2H3
InChIKeyKYBCPCPNBVVUKS-UHFFFAOYSA-N
XLogP1.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The IUPAC name of 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol (CID 79823544) is 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol.
What is the SMILES notation for 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The canonical SMILES for 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol is CCC(O)(COC)Cc1nccs1.
What is the InChIKey of 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
The InChIKey is KYBCPCPNBVVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-3-9(11,7-12-2)6-8-10-4-5-13-8/h4-5,11H,3,6-7H2,1-2H3.
What are the key properties of 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol?
1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1,3-thiazol-2-ylmethyl)butan-2-ol is sourced from PubChem (CID 79823544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).