(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride

C8H8Cl2N2S — CID 119030883

IUPAC(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc2cccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S.ClH/c9-5-2-1-3-6-8(5)12-7(4-10)11-6;/h1-3H,4,10H2;1H
InChIKeyIHAVEYWREOJMMS-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.83
Rot. Bonds1

About (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride

(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride (PubChem CID 119030883) has the molecular formula C8H8Cl2N2S and a molecular weight of 235.14 g/mol. Its IUPAC name is (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride
PubChem CID119030883
Molecular FormulaC8H8Cl2N2S
Molecular Weight235.14 g/mol
Exact Mass233.98
IUPAC Name(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc2cccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S.ClH/c9-5-2-1-3-6-8(5)12-7(4-10)11-6;/h1-3H,4,10H2;1H
InChIKeyIHAVEYWREOJMMS-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride (CID 119030883) is (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride is Cl.NCc1nc2cccc(Cl)c2s1.
What is the InChIKey of (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride?
The InChIKey is IHAVEYWREOJMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S.ClH/c9-5-2-1-3-6-8(5)12-7(4-10)11-6;/h1-3H,4,10H2;1H.
What are the key properties of (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride?
(7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride has a molecular weight of 235.14 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzothiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 119030883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).