N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide

C15H20N4OS — CID 60974238

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C15H20N4OS/c1-10-3-2-7-19(10)8-6-14(20)18-15-17-12-5-4-11(16)9-13(12)21-15/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,18,20)
InChIKeyDRTNFQACZIEYOI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.69
Rot. Bonds4

About N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide

N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide (PubChem CID 60974238) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
PubChem CID60974238
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCCN1CCC(=O)Nc1nc2ccc(N)cc2s1
InChIInChI=1S/C15H20N4OS/c1-10-3-2-7-19(10)8-6-14(20)18-15-17-12-5-4-11(16)9-13(12)21-15/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,18,20)
InChIKeyDRTNFQACZIEYOI-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43081339
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(6-amino-1,3-benzothiazol-2-yl)-3-cyclobutyloxypropanamide
CID 62115980
N-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylsulfanylpropanamide
CID 29295136
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 92866129
N-(6-amino-1,3-benzothiazol-2-yl)-4-(cyclopropylmethoxy)butanamide
CID 28535611
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-(6-amino-1,3-benzothiazol-2-yl)-4-methylsulfinylbutanamide
CID 61288878
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866128
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpropylsulfanyl)propanamide
CID 43125824
N-(6-amino-1,3-benzothiazol-2-yl)-2-cyclopentylsulfinylacetamide
CID 63115305
N-(6-bromo-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylpropanamide
CID 170553043

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide (CID 60974238) is N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide is CC1CCCN1CCC(=O)Nc1nc2ccc(N)cc2s1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide?
The InChIKey is DRTNFQACZIEYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-3-2-7-19(10)8-6-14(20)18-15-17-12-5-4-11(16)9-13(12)21-15/h4-5,9-10H,2-3,6-8,16H2,1H3,(H,17,18,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide?
N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-3-(2-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 60974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).