[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol

C16H17Cl2NO3S — CID 10833202

IUPAC[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@](CCCc2nccs2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H17Cl2NO3S/c17-11-3-4-13(14(18)8-11)16(21-10-12(9-20)22-16)5-1-2-15-19-6-7-23-15/h3-4,6-8,12,20H,1-2,5,9-10H2/t12-,16+/m1/s1
InChIKeyQIBLRBWVRUNVFR-WBMJQRKESA-N
MW374.29 g/mol
LogP4.03
Rot. Bonds6

About [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol

[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 10833202) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
PubChem CID10833202
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol
SMILESOC[C@@H]1CO[C@](CCCc2nccs2)(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C16H17Cl2NO3S/c17-11-3-4-13(14(18)8-11)16(21-10-12(9-20)22-16)5-1-2-15-19-6-7-23-15/h3-4,6-8,12,20H,1-2,5,9-10H2/t12-,16+/m1/s1
InChIKeyQIBLRBWVRUNVFR-WBMJQRKESA-N
XLogP4.03
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol with MolForge

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Related Compounds

[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 99737329
[2-(2,4-dichlorophenyl)-2-[(2-methylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol;methanesulfonic acid
CID 88719179
[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol;oxalic acid
CID 123132413
[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol;methanesulfonic acid
CID 88718781
benzoic acid;[2-(2,4-dichlorophenyl)-2-[(2-ethylimidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 70516009
5-[3-[(2S,4S)-2-(2,4-dichlorophenyl)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]propyl]-1-methyl-1,2,4-triazole
CID 10718872
2-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 13368471
1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
CID 10732947
(2R,4R)-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-carboxylic acid
CID 11279723

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol (CID 10833202) is [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol is OC[C@@H]1CO[C@](CCCc2nccs2)(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is QIBLRBWVRUNVFR-WBMJQRKESA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c17-11-3-4-13(14(18)8-11)16(21-10-12(9-20)22-16)5-1-2-15-19-6-7-23-15/h3-4,6-8,12,20H,1-2,5,9-10H2/t12-,16+/m1/s1.
What are the key properties of [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol?
[(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 374.29 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-(2,4-dichlorophenyl)-2-[3-(1,3-thiazol-2-yl)propyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).