(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide

C16H17NOS — CID 15395310

IUPAC(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESO=S1(c2ccccc2)=NCC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H17NOS/c18-19(15-9-5-2-6-10-15)16(11-12-17-19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19?/m0/s1
InChIKeyFXIDLMKUGDOBRO-UCFFOFKASA-N
MW271.39 g/mol
LogP3.53
Rot. Bonds3

About (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide

(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide (PubChem CID 15395310) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
PubChem CID15395310
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
SMILESO=S1(c2ccccc2)=NCC[C@H]1Cc1ccccc1
InChIInChI=1S/C16H17NOS/c18-19(15-9-5-2-6-10-15)16(11-12-17-19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19?/m0/s1
InChIKeyFXIDLMKUGDOBRO-UCFFOFKASA-N
XLogP3.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide
CID 5324147
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CID 174864328
6-benzyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
CID 15915812
3-benzyl-2-methylideneoxolane
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(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
cyclopropylmethylbenzene;ethane;methane
CID 142248267
(5S)-5-benzyl-3-(4-methylphenyl)-3λ6-thia-2-azabicyclo[4.4.0]deca-1(10),2,6,8-tetraene 3-oxide
CID 11759805
(3R,5R)-3,5-dibenzylthiolan-2-one
CID 129383083
5-benzyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 12764882
CID 162338619
CID 162338619
(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
CID 100922703

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The IUPAC name of (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide (CID 15395310) is (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The canonical SMILES for (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide is O=S1(c2ccccc2)=NCC[C@H]1Cc1ccccc1.
What is the InChIKey of (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
The InChIKey is FXIDLMKUGDOBRO-UCFFOFKASA-N. The full InChI is InChI=1S/C16H17NOS/c18-19(15-9-5-2-6-10-15)16(11-12-17-19)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19?/m0/s1.
What are the key properties of (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide?
(5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide has a molecular weight of 271.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-1-phenyl-4,5-dihydro-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 15395310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).