2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide

C13H17N3OS — CID 60846825

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-3-8-13(2,14)11(17)16-12-15-9-6-4-5-7-10(9)18-12/h4-7H,3,8,14H2,1-2H3,(H,15,16,17)
InChIKeyOTRDGNJVVWFSFO-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.75
Rot. Bonds4

About 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide

2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide (PubChem CID 60846825) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
PubChem CID60846825
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H17N3OS/c1-3-8-13(2,14)11(17)16-12-15-9-6-4-5-7-10(9)18-12/h4-7H,3,8,14H2,1-2H3,(H,15,16,17)
InChIKeyOTRDGNJVVWFSFO-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide 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-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119684964
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
2-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]pentanamide;hydrochloride
CID 119719229
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-ethylsulfanyl-2-methyl-3-oxopentanamide
CID 54105241
2-amino-N-[1-(1,3-benzothiazol-2-yl)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119756789
2-amino-2-methyl-N-quinolin-3-ylpentanamide
CID 60846674
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide (CID 60846825) is 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide?
The InChIKey is OTRDGNJVVWFSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-8-13(2,14)11(17)16-12-15-9-6-4-5-7-10(9)18-12/h4-7H,3,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide?
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide has a molecular weight of 263.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 60846825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).