[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol

C11H13NOS2 — CID 125476941

IUPAC[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESOC[C@@H]1CSC(SCc2ccccc2)=N1
InChIInChI=1S/C11H13NOS2/c13-6-10-8-15-11(12-10)14-7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyKYQCSYADQMUEEA-SNVBAGLBSA-N
MW239.36 g/mol
LogP2.38
Rot. Bonds3

About [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol

[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol (PubChem CID 125476941) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
PubChem CID125476941
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
SMILESOC[C@@H]1CSC(SCc2ccccc2)=N1
InChIInChI=1S/C11H13NOS2/c13-6-10-8-15-11(12-10)14-7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1
InChIKeyKYQCSYADQMUEEA-SNVBAGLBSA-N
XLogP2.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzylthio-2-thiazoline
CID 275677
[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 145978113
2-Amino-3-benzylsulfanylpropan-1-ol
CID 427801
(1S)-1-(Benzylthiomethyl)-2-hydroxyethylamine
CID 2817366
2-benzylsulfanyl-4H-1,3-thiazol-5-one
CID 10105003
2-Benzylsulfanyl-4,5-dihydro-1,3-oxazole
CID 14269241
2-Benzylsulfanyl-5-methoxy-4,5-dihydro-1,3-thiazole
CID 15156774
Hydroxyphenyl-thiazoline
CID 129830028
[2-(2-Fluorophenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 141363840
(2R)-2-Amino-3-(benzylsulfanyl)propan-1-ol
CID 13051960
2-benzylsulfanyl-4,4-dimethyl-5H-1,3-oxazole
CID 12276225
(2-Phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanol
CID 14617414

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The IUPAC name of [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol (CID 125476941) is [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol is OC[C@@H]1CSC(SCc2ccccc2)=N1.
What is the InChIKey of [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol?
The InChIKey is KYQCSYADQMUEEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13NOS2/c13-6-10-8-15-11(12-10)14-7-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2/t10-/m1/s1.
What are the key properties of [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol?
[(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol has a molecular weight of 239.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-benzylsulfanyl-4,5-dihydro-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 125476941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).