(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol

C9H13NO3S — CID 14237955

IUPAC(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)OC[C@H]([C@@H](O)c2nccs2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-5-6(13-9)7(11)8-10-3-4-14-8/h3-4,6-7,11H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyTZEKSPJGHHHPDP-RNFRBKRXSA-N
MW215.27 g/mol
LogP1.33
Rot. Bonds2

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

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 14237955) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID14237955
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)OC[C@H]([C@@H](O)c2nccs2)O1
InChIInChI=1S/C9H13NO3S/c1-9(2)12-5-6(13-9)7(11)8-10-3-4-14-8/h3-4,6-7,11H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyTZEKSPJGHHHPDP-RNFRBKRXSA-N
XLogP1.33
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (CID 14237955) is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol is CC1(C)OC[C@H]([C@@H](O)c2nccs2)O1.
What is the InChIKey of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is TZEKSPJGHHHPDP-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-9(2)12-5-6(13-9)7(11)8-10-3-4-14-8/h3-4,6-7,11H,5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 215.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 14237955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).