(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride

C9H12Cl2N2S — CID 126806025

IUPAC(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
SMILESCc1ccc2sc(CN)nc2c1.Cl.Cl
InChIInChI=1S/C9H10N2S.2ClH/c1-6-2-3-8-7(4-6)11-9(5-10)12-8;;/h2-4H,5,10H2,1H3;2*1H
InChIKeyYBZJWQPTLZOENP-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.91
Rot. Bonds1

About (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride

(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride (PubChem CID 126806025) has the molecular formula C9H12Cl2N2S and a molecular weight of 251.18 g/mol. Its IUPAC name is (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
PubChem CID126806025
Molecular FormulaC9H12Cl2N2S
Molecular Weight251.18 g/mol
Exact Mass250.01
IUPAC Name(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride
SMILESCc1ccc2sc(CN)nc2c1.Cl.Cl
InChIInChI=1S/C9H10N2S.2ClH/c1-6-2-3-8-7(4-6)11-9(5-10)12-8;;/h2-4H,5,10H2,1H3;2*1H
InChIKeyYBZJWQPTLZOENP-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride (CID 126806025) is (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride is Cc1ccc2sc(CN)nc2c1.Cl.Cl.
What is the InChIKey of (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride?
The InChIKey is YBZJWQPTLZOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.2ClH/c1-6-2-3-8-7(4-6)11-9(5-10)12-8;;/h2-4H,5,10H2,1H3;2*1H.
What are the key properties of (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride?
(5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride has a molecular weight of 251.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-benzothiazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 126806025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).