5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine

C10H12Cl2N2SSi — CID 91740451

IUPAC5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
SMILESC[Si](C)(C)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C10H12Cl2N2SSi/c1-16(2,3)14-10-13-8-4-6(11)7(12)5-9(8)15-10/h4-5H,1-3H3,(H,13,14)
InChIKeyVQAVOBSSXMRRDH-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.85
Rot. Bonds2

About 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine

5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine (PubChem CID 91740451) has the molecular formula C10H12Cl2N2SSi and a molecular weight of 291.28 g/mol. Its IUPAC name is 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
PubChem CID91740451
Molecular FormulaC10H12Cl2N2SSi
Molecular Weight291.28 g/mol
Exact Mass289.99
IUPAC Name5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
SMILESC[Si](C)(C)Nc1nc2cc(Cl)c(Cl)cc2s1
InChIInChI=1S/C10H12Cl2N2SSi/c1-16(2,3)14-10-13-8-4-6(11)7(12)5-9(8)15-10/h4-5H,1-3H3,(H,13,14)
InChIKeyVQAVOBSSXMRRDH-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5,6-trichloro-1,3-benzothiazole
CID 22125400
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
CID 82549231
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2-hydrazinylacetamide
CID 15403567
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
(5,6-dichloro-1,3-benzothiazol-2-yl)iminoazanide
CID 57220476
2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
5-bromo-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 63546956
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
2-[[1-carboxy-3-[(5,6-dichloro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]amino]-4-methylpentanoic acid
CID 23573061

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine (CID 91740451) is 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine is C[Si](C)(C)Nc1nc2cc(Cl)c(Cl)cc2s1.
What is the InChIKey of 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine?
The InChIKey is VQAVOBSSXMRRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2SSi/c1-16(2,3)14-10-13-8-4-6(11)7(12)5-9(8)15-10/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine?
5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine has a molecular weight of 291.28 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91740451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).