2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole

C15H20N2OS — CID 82189969

IUPAC2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
SMILESCCCCc1nc2ccc(OC3CCNC3)cc2s1
InChIInChI=1S/C15H20N2OS/c1-2-3-4-15-17-13-6-5-11(9-14(13)19-15)18-12-7-8-16-10-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyUMNAGFAVACHNCI-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.38
Rot. Bonds5

About 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole

2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole (PubChem CID 82189969) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
PubChem CID82189969
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
SMILESCCCCc1nc2ccc(OC3CCNC3)cc2s1
InChIInChI=1S/C15H20N2OS/c1-2-3-4-15-17-13-6-5-11(9-14(13)19-15)18-12-7-8-16-10-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3
InChIKeyUMNAGFAVACHNCI-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-6-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190025
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190228
ethane;6-methoxy-2-methyl-1,3-benzothiazol-4-amine;2-methyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 178048940
2-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propanoic acid
CID 82189959
2-heptyl-6-(2-heptyl-1,3-benzothiazol-6-yl)-1,3-benzothiazole
CID 58729688
2-[(2-butyl-1,3-benzothiazol-6-yl)oxy]-2-methylpropanoic acid
CID 82189961
6-methoxy-2-(2-piperidin-2-ylethyl)-1,3-benzothiazole
CID 79511835
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
5-pyrrolidin-3-yloxy-1,2-benzothiazole
CID 84685930
(2-octyl-1,3-benzothiazol-6-yl)methanamine
CID 143097455

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole?
The IUPAC name of 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole (CID 82189969) is 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole is CCCCc1nc2ccc(OC3CCNC3)cc2s1.
What is the InChIKey of 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole?
The InChIKey is UMNAGFAVACHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-3-4-15-17-13-6-5-11(9-14(13)19-15)18-12-7-8-16-10-12/h5-6,9,12,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole?
2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole has a molecular weight of 276.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole is sourced from PubChem (CID 82189969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).