5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine

C14H19N3OS — CID 64568220

IUPAC5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCOCC1CCN(c2cc3nc(C)sc3cc2N)C1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-6-13(11(15)5-14(12)19-9)17-4-3-10(7-17)8-18-2/h5-6,10H,3-4,7-8,15H2,1-2H3
InChIKeyBFPQMQHSHAKKND-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.66
Rot. Bonds3

About 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine

5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 64568220) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID64568220
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCOCC1CCN(c2cc3nc(C)sc3cc2N)C1
InChIInChI=1S/C14H19N3OS/c1-9-16-12-6-13(11(15)5-14(12)19-9)17-4-3-10(7-17)8-18-2/h5-6,10H,3-4,7-8,15H2,1-2H3
InChIKeyBFPQMQHSHAKKND-UHFFFAOYSA-N
XLogP2.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-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 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine (CID 64568220) is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine is COCC1CCN(c2cc3nc(C)sc3cc2N)C1.
What is the InChIKey of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is BFPQMQHSHAKKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-16-12-6-13(11(15)5-14(12)19-9)17-4-3-10(7-17)8-18-2/h5-6,10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine?
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 277.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 64568220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).