(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride

C16H14ClN3S — CID 51351538

IUPAC(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H13N3S.ClH/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13;/h1-8,10H,9,17H2;1H
InChIKeyNZUXZBLGLMAHBD-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.10
Rot. Bonds2

About (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride

(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride (PubChem CID 51351538) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride
PubChem CID51351538
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C16H13N3S.ClH/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13;/h1-8,10H,9,17H2;1H
InChIKeyNZUXZBLGLMAHBD-UHFFFAOYSA-N
XLogP4.10
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride (CID 51351538) is (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride is Cl.NCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride?
The InChIKey is NZUXZBLGLMAHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S.ClH/c17-9-11-5-7-12(8-6-11)13-10-19-14-3-1-2-4-15(14)20-16(19)18-13;/h1-8,10H,9,17H2;1H.
What are the key properties of (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride?
(4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[2,1-b][1,3]benzothiazol-2-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 51351538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).