(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide

C14H17N3OS — CID 103813341

IUPAC(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H17N3OS/c1-17(14(18)11-6-4-8-15-11)9-13-16-10-5-2-3-7-12(10)19-13/h2-3,5,7,11,15H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyJWOYMEOJHFQPQK-LLVKDONJSA-N
MW275.38 g/mol
LogP2.01
Rot. Bonds3

About (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide

(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 103813341) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID103813341
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H17N3OS/c1-17(14(18)11-6-4-8-15-11)9-13-16-10-5-2-3-7-12(10)19-13/h2-3,5,7,11,15H,4,6,8-9H2,1H3/t11-/m1/s1
InChIKeyJWOYMEOJHFQPQK-LLVKDONJSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119835338
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-(1,3-benzothiazol-2-ylmethyl)-N-methyladamantane-2-carboxamide
CID 46532413
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
CID 18117670
N-[(2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 42890905

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide (CID 103813341) is (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JWOYMEOJHFQPQK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-17(14(18)11-6-4-8-15-11)9-13-16-10-5-2-3-7-12(10)19-13/h2-3,5,7,11,15H,4,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide?
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103813341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).