[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol

C9H19NOS — CID 15052279

IUPAC[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
SMILESCC(C)CC1SC[C@@H](CO)N1C
InChIInChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyXMVMFLVWMLTMAO-VEDVMXKPSA-N
MW189.32 g/mol
LogP1.40
Rot. Bonds3

About [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol

[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol (PubChem CID 15052279) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
PubChem CID15052279
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol
SMILESCC(C)CC1SC[C@@H](CO)N1C
InChIInChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3/t8-,9?/m1/s1
InChIKeyXMVMFLVWMLTMAO-VEDVMXKPSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The IUPAC name of [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol (CID 15052279) is [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol.
What is the SMILES notation for [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The canonical SMILES for [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol is CC(C)CC1SC[C@@H](CO)N1C.
What is the InChIKey of [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
The InChIKey is XMVMFLVWMLTMAO-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)4-9-10(3)8(5-11)6-12-9/h7-9,11H,4-6H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol?
[(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol has a molecular weight of 189.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidin-4-yl]methanol is sourced from PubChem (CID 15052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).