2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole

C14H18N2OS — CID 82190228

IUPAC2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
SMILESCCCc1nc2c(OC3CCNC3)cccc2s1
InChIInChI=1S/C14H18N2OS/c1-2-4-13-16-14-11(5-3-6-12(14)18-13)17-10-7-8-15-9-10/h3,5-6,10,15H,2,4,7-9H2,1H3
InChIKeyCINHNGFAZLBTDQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds4

About 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole

2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole (PubChem CID 82190228) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
PubChem CID82190228
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
SMILESCCCc1nc2c(OC3CCNC3)cccc2s1
InChIInChI=1S/C14H18N2OS/c1-2-4-13-16-14-11(5-3-6-12(14)18-13)17-10-7-8-15-9-10/h3,5-6,10,15H,2,4,7-9H2,1H3
InChIKeyCINHNGFAZLBTDQ-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
CID 82190283
2-butyl-6-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82189969
2-propyl-1,3-benzothiazol-4-ol
CID 82190216
4-pyrrolidin-3-yloxy-1,2-benzothiazole
CID 84685931
3-[(3-methyl-1-benzothiophen-4-yl)oxy]pyrrolidine
CID 84697002
3-(2-ethoxyphenoxy)pyrrolidine
CID 45075484
(3R)-3-(2-ethoxyphenoxy)pyrrolidine
CID 26191976
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
2-methyl-6-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406823
(3R)-3-(4-bromo-2-propylphenoxy)pyrrolidine
CID 86322012
2-[(2-butyl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190296
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole?
The IUPAC name of 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole (CID 82190228) is 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole is CCCc1nc2c(OC3CCNC3)cccc2s1.
What is the InChIKey of 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole?
The InChIKey is CINHNGFAZLBTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-4-13-16-14-11(5-3-6-12(14)18-13)17-10-7-8-15-9-10/h3,5-6,10,15H,2,4,7-9H2,1H3.
What are the key properties of 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole?
2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole has a molecular weight of 262.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole is sourced from PubChem (CID 82190228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).