3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

C19H21N5O3S2 — CID 43072761

IUPAC3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C19H21N5O3S2/c25-18(7-9-21-29(26,27)15-4-3-8-20-13-15)22-14-5-6-16-17(12-14)28-19(23-16)24-10-1-2-11-24/h3-6,8,12-13,21H,1-2,7,9-11H2,(H,22,25)
InChIKeyFBHUWGQPBAKEJE-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.60
Rot. Bonds7

About 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide

3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 43072761) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
PubChem CID43072761
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC Name3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C19H21N5O3S2/c25-18(7-9-21-29(26,27)15-4-3-8-20-13-15)22-14-5-6-16-17(12-14)28-19(23-16)24-10-1-2-11-24/h3-6,8,12-13,21H,1-2,7,9-11H2,(H,22,25)
InChIKeyFBHUWGQPBAKEJE-UHFFFAOYSA-N
XLogP2.60
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide 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

4-pyridin-3-yloxy-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)butanamide
CID 167862235
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 24637733
3-(propylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 42319130
2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839201
4-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24599690
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
2-methyl-5-(methylsulfamoyl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzamide
CID 24613183
N-[2-oxo-2-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)amino]ethyl]thiophene-2-carboxamide
CID 17450623
1-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 119839211
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pentanamide;dihydrochloride
CID 119839224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)acetamide
CID 119839197
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide (CID 43072761) is 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide is O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is FBHUWGQPBAKEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c25-18(7-9-21-29(26,27)15-4-3-8-20-13-15)22-14-5-6-16-17(12-14)28-19(23-16)24-10-1-2-11-24/h3-6,8,12-13,21H,1-2,7,9-11H2,(H,22,25).
What are the key properties of 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide?
3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-3-ylsulfonylamino)-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 43072761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).