(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol

C14H15Cl2N3OS — CID 14667252

IUPAC(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@](Cn1cncn1)(c1ccc(Cl)cc1Cl)[C@H]1CCCS1
InChIInChI=1S/C14H15Cl2N3OS/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2/t13-,14+/m1/s1
InChIKeyIOJXENWFKBTKDB-KGLIPLIRSA-N
MW344.27 g/mol
LogP3.37
Rot. Bonds4

About (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol

(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 14667252) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID14667252
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@](Cn1cncn1)(c1ccc(Cl)cc1Cl)[C@H]1CCCS1
InChIInChI=1S/C14H15Cl2N3OS/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2/t13-,14+/m1/s1
InChIKeyIOJXENWFKBTKDB-KGLIPLIRSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol with MolForge

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Related Compounds

1-(2,4-dichlorophenyl)-1-(oxolan-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 67832759
3-chloro-4-[1-cyclopropyl-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]phenol
CID 118560094
1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 18957976
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
3-cyclopropyl-2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 13488627
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]methanesulfonamide
CID 18957987
1-[2-chloro-4-(4-methylphenyl)phenyl]-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 118528634
1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782960
1-(2-chloro-4-thiophen-2-ylphenyl)-1-cyclopropyl-2-(1,2,4-triazol-1-yl)ethanol
CID 90242659
2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)pent-3-en-2-ol
CID 67832646
N-[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]ethanesulfonamide
CID 18958000
(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 57016379

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol (CID 14667252) is (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol is O[C@@](Cn1cncn1)(c1ccc(Cl)cc1Cl)[C@H]1CCCS1.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is IOJXENWFKBTKDB-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c15-10-3-4-11(12(16)6-10)14(20,13-2-1-5-21-13)7-19-9-17-8-18-19/h3-4,6,8-9,13,20H,1-2,5,7H2/t13-,14+/m1/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol?
(1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 344.27 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-1-[(2R)-thiolan-2-yl]-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 14667252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).