(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine

C14H22N2OSSi — CID 175729251

IUPAC(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine
SMILESC[Si](C)(C)CCOCN1/C(=C/N)Sc2ccccc21
InChIInChI=1S/C14H22N2OSSi/c1-19(2,3)9-8-17-11-16-12-6-4-5-7-13(12)18-14(16)10-15/h4-7,10H,8-9,11,15H2,1-3H3/b14-10-
InChIKeyVRLUVPNZOQXXAT-UVTDQMKNSA-N
MW294.50 g/mol
LogP3.67
Rot. Bonds5

About (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine

(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine (PubChem CID 175729251) has the molecular formula C14H22N2OSSi and a molecular weight of 294.50 g/mol. Its IUPAC name is (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine
PubChem CID175729251
Molecular FormulaC14H22N2OSSi
Molecular Weight294.50 g/mol
Exact Mass294.12
IUPAC Name(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine
SMILESC[Si](C)(C)CCOCN1/C(=C/N)Sc2ccccc21
InChIInChI=1S/C14H22N2OSSi/c1-19(2,3)9-8-17-11-16-12-6-4-5-7-13(12)18-14(16)10-15/h4-7,10H,8-9,11,15H2,1-3H3/b14-10-
InChIKeyVRLUVPNZOQXXAT-UVTDQMKNSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine 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 (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine?
The IUPAC name of (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine (CID 175729251) is (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine.
What is the SMILES notation for (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine?
The canonical SMILES for (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine is C[Si](C)(C)CCOCN1/C(=C/N)Sc2ccccc21.
What is the InChIKey of (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine?
The InChIKey is VRLUVPNZOQXXAT-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H22N2OSSi/c1-19(2,3)9-8-17-11-16-12-6-4-5-7-13(12)18-14(16)10-15/h4-7,10H,8-9,11,15H2,1-3H3/b14-10-.
What are the key properties of (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine?
(Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine has a molecular weight of 294.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]methanamine is sourced from PubChem (CID 175729251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).