(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide

C10H13NOS — CID 5324147

IUPAC(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESC[C@H]1CCN=S1(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-9-7-8-11-13(9,12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-,13?/m0/s1
InChIKeyKEGJEXCRAHRFPK-LLTODGECSA-N
MW195.29 g/mol
LogP2.31
Rot. Bonds1

About (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide

(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide (PubChem CID 5324147) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
PubChem CID5324147
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESC[C@H]1CCN=S1(=O)c1ccccc1
InChIInChI=1S/C10H13NOS/c1-9-7-8-11-13(9,12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-,13?/m0/s1
InChIKeyKEGJEXCRAHRFPK-LLTODGECSA-N
XLogP2.31
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The IUPAC name of (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide (CID 5324147) is (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The canonical SMILES for (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide is C[C@H]1CCN=S1(=O)c1ccccc1.
What is the InChIKey of (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The InChIKey is KEGJEXCRAHRFPK-LLTODGECSA-N. The full InChI is InChI=1S/C10H13NOS/c1-9-7-8-11-13(9,12)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-,13?/m0/s1.
What are the key properties of (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide has a molecular weight of 195.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 5324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).