4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine

C13H17N3S — CID 79146325

IUPAC4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCN(C)C3)nc12
InChIInChI=1S/C13H17N3S/c1-9-4-3-5-11-12(9)15-13(17-11)14-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,14,15)
InChIKeyMGPIFTUHEDJFIL-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine

4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 79146325) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
PubChem CID79146325
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NC3CCN(C)C3)nc12
InChIInChI=1S/C13H17N3S/c1-9-4-3-5-11-12(9)15-13(17-11)14-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,14,15)
InChIKeyMGPIFTUHEDJFIL-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine 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 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine (CID 79146325) is 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(NC3CCN(C)C3)nc12.
What is the InChIKey of 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MGPIFTUHEDJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-4-3-5-11-12(9)15-13(17-11)14-10-6-7-16(2)8-10/h3-5,10H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine?
4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).