2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole

C19H23NO6S — CID 71559484

IUPAC2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](Oc3nc4ccccc4s3)[C@H]2O1
InChIInChI=1S/C19H23NO6S/c1-18(2)21-9-11(24-18)13-14(15-16(22-13)26-19(3,4)25-15)23-17-20-10-7-5-6-8-12(10)27-17/h5-8,11,13-16H,9H2,1-4H3/t11-,13-,14-,15-,16-/m1/s1
InChIKeyCHGHBDOQVQHSFI-JPIRQXTESA-N
MW393.46 g/mol
LogP3.07
Rot. Bonds3

About 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole

2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole (PubChem CID 71559484) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole
PubChem CID71559484
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](Oc3nc4ccccc4s3)[C@H]2O1
InChIInChI=1S/C19H23NO6S/c1-18(2)21-9-11(24-18)13-14(15-16(22-13)26-19(3,4)25-15)23-17-20-10-7-5-6-8-12(10)27-17/h5-8,11,13-16H,9H2,1-4H3/t11-,13-,14-,15-,16-/m1/s1
InChIKeyCHGHBDOQVQHSFI-JPIRQXTESA-N
XLogP3.07
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole?
The IUPAC name of 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole (CID 71559484) is 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole?
The canonical SMILES for 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@@H](Oc3nc4ccccc4s3)[C@H]2O1.
What is the InChIKey of 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole?
The InChIKey is CHGHBDOQVQHSFI-JPIRQXTESA-N. The full InChI is InChI=1S/C19H23NO6S/c1-18(2)21-9-11(24-18)13-14(15-16(22-13)26-19(3,4)25-15)23-17-20-10-7-5-6-8-12(10)27-17/h5-8,11,13-16H,9H2,1-4H3/t11-,13-,14-,15-,16-/m1/s1.
What are the key properties of 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole?
2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole has a molecular weight of 393.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-1,3-benzothiazole is sourced from PubChem (CID 71559484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).