4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole

C15H20N2S — CID 79146975

IUPAC4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3c(C)cccc3s2)CCNC1
InChIInChI=1S/C15H20N2S/c1-3-7-15(8-9-16-10-15)14-17-13-11(2)5-4-6-12(13)18-14/h4-6,16H,3,7-10H2,1-2H3
InChIKeyURJGQWGLEMDBBY-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.64
Rot. Bonds3

About 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole

4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole (PubChem CID 79146975) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole
PubChem CID79146975
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole
SMILESCCCC1(c2nc3c(C)cccc3s2)CCNC1
InChIInChI=1S/C15H20N2S/c1-3-7-15(8-9-16-10-15)14-17-13-11(2)5-4-6-12(13)18-14/h4-6,16H,3,7-10H2,1-2H3
InChIKeyURJGQWGLEMDBBY-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole?
The IUPAC name of 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole (CID 79146975) is 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole?
The canonical SMILES for 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole is CCCC1(c2nc3c(C)cccc3s2)CCNC1.
What is the InChIKey of 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole?
The InChIKey is URJGQWGLEMDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-7-15(8-9-16-10-15)14-17-13-11(2)5-4-6-12(13)18-14/h4-6,16H,3,7-10H2,1-2H3.
What are the key properties of 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole?
4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propylpyrrolidin-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 79146975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).