[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol

C11H17NO2S — CID 66025414

IUPAC[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
SMILESCc1ncc(CC2(CO)CCOCC2)s1
InChIInChI=1S/C11H17NO2S/c1-9-12-7-10(15-9)6-11(8-13)2-4-14-5-3-11/h7,13H,2-6,8H2,1H3
InChIKeyPPCJGVRQIAWADB-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.78
Rot. Bonds3

About [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol

[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol (PubChem CID 66025414) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
PubChem CID66025414
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
SMILESCc1ncc(CC2(CO)CCOCC2)s1
InChIInChI=1S/C11H17NO2S/c1-9-12-7-10(15-9)6-11(8-13)2-4-14-5-3-11/h7,13H,2-6,8H2,1H3
InChIKeyPPCJGVRQIAWADB-UHFFFAOYSA-N
XLogP1.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol (CID 66025414) is [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol is Cc1ncc(CC2(CO)CCOCC2)s1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol?
The InChIKey is PPCJGVRQIAWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9-12-7-10(15-9)6-11(8-13)2-4-14-5-3-11/h7,13H,2-6,8H2,1H3.
What are the key properties of [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol?
[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol has a molecular weight of 227.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 66025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).