6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole

C19H20N2O2S — CID 143435407

IUPAC6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole
SMILESCc1ccc2nc(Oc3ccc(OC[C@H]4CCCN4)cc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-13-4-9-17-18(11-13)24-19(21-17)23-16-7-5-15(6-8-16)22-12-14-3-2-10-20-14/h4-9,11,14,20H,2-3,10,12H2,1H3/t14-/m1/s1
InChIKeyAGXQUCATCVCKSV-CQSZACIVSA-N
MW340.45 g/mol
LogP4.53
Rot. Bonds5

About 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole

6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole (PubChem CID 143435407) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole
PubChem CID143435407
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole
SMILESCc1ccc2nc(Oc3ccc(OC[C@H]4CCCN4)cc3)sc2c1
InChIInChI=1S/C19H20N2O2S/c1-13-4-9-17-18(11-13)24-19(21-17)23-16-7-5-15(6-8-16)22-12-14-3-2-10-20-14/h4-9,11,14,20H,2-3,10,12H2,1H3/t14-/m1/s1
InChIKeyAGXQUCATCVCKSV-CQSZACIVSA-N
XLogP4.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole (CID 143435407) is 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole is Cc1ccc2nc(Oc3ccc(OC[C@H]4CCCN4)cc3)sc2c1.
What is the InChIKey of 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole?
The InChIKey is AGXQUCATCVCKSV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-4-9-17-18(11-13)24-19(21-17)23-16-7-5-15(6-8-16)22-12-14-3-2-10-20-14/h4-9,11,14,20H,2-3,10,12H2,1H3/t14-/m1/s1.
What are the key properties of 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole?
6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole has a molecular weight of 340.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzothiazole is sourced from PubChem (CID 143435407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).