2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

C11H19NO2S — CID 82439989

IUPAC2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCOCc1nc(C(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NO2S/c1-7(2)10-12-8(6-14-5)9(15-10)11(3,4)13/h7,13H,6H2,1-5H3
InChIKeyYARQDFMNWDVKSI-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82439989) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82439989
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCOCc1nc(C(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NO2S/c1-7(2)10-12-8(6-14-5)9(15-10)11(3,4)13/h7,13H,6H2,1-5H3
InChIKeyYARQDFMNWDVKSI-UHFFFAOYSA-N
XLogP2.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (CID 82439989) is 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is COCc1nc(C(C)C)sc1C(C)(C)O.
What is the InChIKey of 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is YARQDFMNWDVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-7(2)10-12-8(6-14-5)9(15-10)11(3,4)13/h7,13H,6H2,1-5H3.
What are the key properties of 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82439989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).