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

C9H13NO3S — CID 14237957

IUPAC(S)-[(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-RQJHMYQMSA-N
MW215.27 g/mol
LogP1.33
Rot. Bonds2

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

(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 14237957) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID14237957
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(S)-[(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-RQJHMYQMSA-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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Related Compounds

2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
2-(2-Methyl-1,3-dioxolan-2-yl)thiazole
CID 11298213
Ribofuranosylthiazole
CID 70465211
(3aS,5S,6R,6aS)-2,2,5-trimethyl-6-(1,3-thiazol-2-yl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 11673311
(2R,3S,5R)-2-(hydroxymethyl)-5-(1,3-thiazol-2-yl)oxolan-3-ol
CID 13009535
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
CID 13495497
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
CID 14237955
4-(Hydroxymethyl)-4-(1,3-thiazol-2-yl)-1,3-dioxolan-2-one
CID 134846739
[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
CID 134923302
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methanol;trifluoromethanesulfonate
CID 10429785
1-(1,3-Thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216989
1-(2,2,3,3-Tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 103473926

Frequently Asked Questions

What is the IUPAC name of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (CID 14237957) is (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (S)-[(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 (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is TZEKSPJGHHHPDP-RQJHMYQMSA-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 (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
(S)-[(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 (S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 14237957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).