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

C11H13N3OS — CID 43702545

IUPAC2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)N)cc2s1
InChIInChI=1S/C11H13N3OS/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyFVVGMJSKNKFNAA-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.89
Rot. Bonds2

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

2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 43702545) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID43702545
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)C(C)N)cc2s1
InChIInChI=1S/C11H13N3OS/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9/h3-6H,12H2,1-2H3,(H,14,15)
InChIKeyFVVGMJSKNKFNAA-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(2-methyl-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

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2S)-2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)propanamide
CID 119317979
(2R)-2-amino-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)propanamide
CID 119839191
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
(2S)-2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide
CID 61179063
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 43702545) is 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)C(C)N)cc2s1.
What is the InChIKey of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is FVVGMJSKNKFNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6(12)11(15)14-8-3-4-9-10(5-8)16-7(2)13-9/h3-6H,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 235.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 43702545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).