5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol

C14H19NOS — CID 136833988

IUPAC5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1C1=NC[C@H](C)S1
InChIInChI=1S/C14H19NOS/c1-8(2)11-6-12(9(3)5-13(11)16)14-15-7-10(4)17-14/h5-6,8,10,16H,7H2,1-4H3/t10-/m0/s1
InChIKeyQBHLAIDKPULGBD-JTQLQIEISA-N
MW249.38 g/mol
LogP3.71
Rot. Bonds2

About 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol

5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol (PubChem CID 136833988) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol
PubChem CID136833988
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1C1=NC[C@H](C)S1
InChIInChI=1S/C14H19NOS/c1-8(2)11-6-12(9(3)5-13(11)16)14-15-7-10(4)17-14/h5-6,8,10,16H,7H2,1-4H3/t10-/m0/s1
InChIKeyQBHLAIDKPULGBD-JTQLQIEISA-N
XLogP3.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol?
The IUPAC name of 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol (CID 136833988) is 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol?
The canonical SMILES for 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1C1=NC[C@H](C)S1.
What is the InChIKey of 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol?
The InChIKey is QBHLAIDKPULGBD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NOS/c1-8(2)11-6-12(9(3)5-13(11)16)14-15-7-10(4)17-14/h5-6,8,10,16H,7H2,1-4H3/t10-/m0/s1.
What are the key properties of 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol?
5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol has a molecular weight of 249.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-propan-2-ylphenol is sourced from PubChem (CID 136833988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).