N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C20H22N4OS — CID 162380155

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc2nc(N(Cc3cccnc3)C(=O)N3CCCC3)sc2c1
InChIInChI=1S/C20H22N4OS/c1-2-15-7-8-17-18(12-15)26-19(22-17)24(14-16-6-5-9-21-13-16)20(25)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3
InChIKeyKNLVXVCNCWCMTE-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.48
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 162380155) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID162380155
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCc1ccc2nc(N(Cc3cccnc3)C(=O)N3CCCC3)sc2c1
InChIInChI=1S/C20H22N4OS/c1-2-15-7-8-17-18(12-15)26-19(22-17)24(14-16-6-5-9-21-13-16)20(25)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3
InChIKeyKNLVXVCNCWCMTE-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-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

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 43965989
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-diphenyl-N-(pyridin-3-ylmethyl)acetamide
CID 43965999
2,5-dichloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 40983272
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16849709
N-(6-ethyl-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 40694320
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40508187
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879656
2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342783
1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 16862626
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 40983295
N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 16827933
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 40983252

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 162380155) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is CCc1ccc2nc(N(Cc3cccnc3)C(=O)N3CCCC3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is KNLVXVCNCWCMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-2-15-7-8-17-18(12-15)26-19(22-17)24(14-16-6-5-9-21-13-16)20(25)23-10-3-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162380155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).