1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one

C11H17N3OS — CID 79774554

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one
SMILESNc1ncc(CN2CCCCCCC2=O)s1
InChIInChI=1S/C11H17N3OS/c12-11-13-7-9(16-11)8-14-6-4-2-1-3-5-10(14)15/h7H,1-6,8H2,(H2,12,13)
InChIKeyTUWITIUQYOVVCC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.02
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one

1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one (PubChem CID 79774554) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one
PubChem CID79774554
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one
SMILESNc1ncc(CN2CCCCCCC2=O)s1
InChIInChI=1S/C11H17N3OS/c12-11-13-7-9(16-11)8-14-6-4-2-1-3-5-10(14)15/h7H,1-6,8H2,(H2,12,13)
InChIKeyTUWITIUQYOVVCC-UHFFFAOYSA-N
XLogP2.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one 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 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one (CID 79774554) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one is Nc1ncc(CN2CCCCCCC2=O)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one?
The InChIKey is TUWITIUQYOVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-11-13-7-9(16-11)8-14-6-4-2-1-3-5-10(14)15/h7H,1-6,8H2,(H2,12,13).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one?
1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]azocan-2-one is sourced from PubChem (CID 79774554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).