(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

C13H16N2OS — CID 681042

IUPAC(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H16N2OS/c1-4-9(3)12(16)15-13-14-10-6-5-8(2)7-11(10)17-13/h5-7,9H,4H2,1-3H3,(H,14,15,16)/t9-/m0/s1
InChIKeyGESVTTLUUJVXQJ-VIFPVBQESA-N
MW248.35 g/mol
LogP3.59
Rot. Bonds3

About (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 681042) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID681042
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1
InChIInChI=1S/C13H16N2OS/c1-4-9(3)12(16)15-13-14-10-6-5-8(2)7-11(10)17-13/h5-7,9H,4H2,1-3H3,(H,14,15,16)/t9-/m0/s1
InChIKeyGESVTTLUUJVXQJ-VIFPVBQESA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide 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-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
6-amino-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)heptanamide
CID 65293190
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
2-(aminomethyl)-4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pentanamide
CID 107470948
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-methylpentanoate
CID 2357128
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-amino-N-(6-methyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbutanamide
CID 43101771
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 62729387
(2S)-2-(2-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 35122221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (CID 681042) is (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is CC[C@H](C)C(=O)Nc1nc2ccc(C)cc2s1.
What is the InChIKey of (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is GESVTTLUUJVXQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-9(3)12(16)15-13-14-10-6-5-8(2)7-11(10)17-13/h5-7,9H,4H2,1-3H3,(H,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
(2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 248.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 681042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).