(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol

C18H19N3OS — CID 2479408

IUPAC(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
SMILESCCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-2-21-17(15-11-7-4-8-12-15)19-20-18(21)23-13-16(22)14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3/t16-/m0/s1
InChIKeySRSFTQNGSYVOHK-INIZCTEOSA-N
MW325.44 g/mol
LogP3.79
Rot. Bonds6

About (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol

(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol (PubChem CID 2479408) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
PubChem CID2479408
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
SMILESCCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-2-21-17(15-11-7-4-8-12-15)19-20-18(21)23-13-16(22)14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3/t16-/m0/s1
InChIKeySRSFTQNGSYVOHK-INIZCTEOSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol with MolForge

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Related Compounds

(1S)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 42187643
1-(4-chlorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 112812101
1-(4-chlorophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 110884576
3-butylsulfanyl-4-ethyl-5-phenyl-1,2,4-triazole
CID 78812573
N'-acetyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7625313
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanol
CID 17457233
N,N-diethyl-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071679
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
CID 7625684
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 52512176
(1R)-3-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpropan-1-ol
CID 94830594
(1S)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 40953519
3-(cyclohexylmethylsulfanyl)-4-ethyl-5-phenyl-1,2,4-triazole
CID 86058119

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol (CID 2479408) is (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol is CCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol?
The InChIKey is SRSFTQNGSYVOHK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-21-17(15-11-7-4-8-12-15)19-20-18(21)23-13-16(22)14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3/t16-/m0/s1.
What are the key properties of (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol?
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol has a molecular weight of 325.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol is sourced from PubChem (CID 2479408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).