[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol

C10H15NO3S — CID 118151889

IUPAC[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ncsc1[C@H]1OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C10H15NO3S/c1-6-9(15-5-11-6)8-7(4-12)13-10(2,3)14-8/h5,7-8,12H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyNGEDMAYWOOXQPZ-SFYZADRCSA-N
MW229.30 g/mol
LogP1.64
Rot. Bonds2

About [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol

[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 118151889) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID118151889
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ncsc1[C@H]1OC(C)(C)O[C@@H]1CO
InChIInChI=1S/C10H15NO3S/c1-6-9(15-5-11-6)8-7(4-12)13-10(2,3)14-8/h5,7-8,12H,4H2,1-3H3/t7-,8+/m1/s1
InChIKeyNGEDMAYWOOXQPZ-SFYZADRCSA-N
XLogP1.64
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]-methylsulfamic acid
CID 122638343
[5-(2-chloropyrimidin-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118141643
[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10750465
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
[(4R,5S)-5-(4-chloro-1,3-thiazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl sulfamate
CID 122663615
[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90027428
[5-(2,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 123972056
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229
(5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 123528686
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 13091751
(3aS,6R)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 130425860
[(3aS,4R,7aS)-7-bromo-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 44543443

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol (CID 118151889) is [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol is Cc1ncsc1[C@H]1OC(C)(C)O[C@@H]1CO.
What is the InChIKey of [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is NGEDMAYWOOXQPZ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6-9(15-5-11-6)8-7(4-12)13-10(2,3)14-8/h5,7-8,12H,4H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol?
[(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 229.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-2,2-dimethyl-5-(4-methyl-1,3-thiazol-5-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 118151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).