6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide

C12H21N3OS — CID 54872669

IUPAC6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCc1ncc(CN(C)C(=O)CCCCCN)s1
InChIInChI=1S/C12H21N3OS/c1-10-14-8-11(17-10)9-15(2)12(16)6-4-3-5-7-13/h8H,3-7,9,13H2,1-2H3
InChIKeyUOKKBURVQBORAU-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.93
Rot. Bonds7

About 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide

6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide (PubChem CID 54872669) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
PubChem CID54872669
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
SMILESCc1ncc(CN(C)C(=O)CCCCCN)s1
InChIInChI=1S/C12H21N3OS/c1-10-14-8-11(17-10)9-15(2)12(16)6-4-3-5-7-13/h8H,3-7,9,13H2,1-2H3
InChIKeyUOKKBURVQBORAU-UHFFFAOYSA-N
XLogP1.93
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide (CID 54872669) is 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide is Cc1ncc(CN(C)C(=O)CCCCCN)s1.
What is the InChIKey of 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
The InChIKey is UOKKBURVQBORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-10-14-8-11(17-10)9-15(2)12(16)6-4-3-5-7-13/h8H,3-7,9,13H2,1-2H3.
What are the key properties of 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide?
6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide has a molecular weight of 255.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide is sourced from PubChem (CID 54872669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).