N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide

C16H23N3OS — CID 119625961

IUPACN-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESCC(C)(N)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-16(2,17)11-18-14(20)9-5-6-10-15-19-12-7-3-4-8-13(12)21-15/h3-4,7-8H,5-6,9-11,17H2,1-2H3,(H,18,20)
InChIKeyQWEGBIIQBYQUDX-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.86
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide

N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide (PubChem CID 119625961) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
PubChem CID119625961
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
SMILESCC(C)(N)CNC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C16H23N3OS/c1-16(2,17)11-18-14(20)9-5-6-10-15-19-12-7-3-4-8-13(12)21-15/h3-4,7-8H,5-6,9-11,17H2,1-2H3,(H,18,20)
InChIKeyQWEGBIIQBYQUDX-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide 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-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 9296966
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
5-(1,3-benzothiazol-2-yl)-N-prop-2-enylpentanamide
CID 78802007
4-(1,3-benzothiazol-2-yl)-N-[2-(4-chlorophenyl)-2-methylpropyl]butanamide
CID 55904712
5-(1,3-benzothiazol-2-yl)-N-[2-(ethylamino)ethyl]pentanamide
CID 119504813
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
2-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-2-methylbutanoic acid
CID 119199158
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
methyl 5-(1,3-benzothiazol-2-yl)pentanoate
CID 18002644
5-[4-(1,3-benzothiazol-2-yl)butylamino]-5-oxopentanoic acid
CID 123617279

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide (CID 119625961) is N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide is CC(C)(N)CNC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
The InChIKey is QWEGBIIQBYQUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-16(2,17)11-18-14(20)9-5-6-10-15-19-12-7-3-4-8-13(12)21-15/h3-4,7-8H,5-6,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide?
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide has a molecular weight of 305.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide is sourced from PubChem (CID 119625961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).