2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole

C14H14N2OS2 — CID 62328642

IUPAC2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(OC3CCNC3)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-8-16-13-12(19-8)6-11(10-3-5-18-14(10)13)17-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3
InChIKeyYCWUUOASXHQSQH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.56
Rot. Bonds2

About 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole

2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole (PubChem CID 62328642) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole
PubChem CID62328642
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(OC3CCNC3)c3ccsc32)s1
InChIInChI=1S/C14H14N2OS2/c1-8-16-13-12(19-8)6-11(10-3-5-18-14(10)13)17-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3
InChIKeyYCWUUOASXHQSQH-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole (CID 62328642) is 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(OC3CCNC3)c3ccsc32)s1.
What is the InChIKey of 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole?
The InChIKey is YCWUUOASXHQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-8-16-13-12(19-8)6-11(10-3-5-18-14(10)13)17-9-2-4-15-7-9/h3,5-6,9,15H,2,4,7H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole?
2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole has a molecular weight of 290.41 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-3-yloxythieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 62328642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).