1,3-benzothiazol-6-ylmethanamine;hydrochloride

C8H9ClN2S — CID 133063605

IUPAC1,3-benzothiazol-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2S.ClH/c9-4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4,9H2;1H
InChIKeyPVKQIXDKXJWXEG-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.18
Rot. Bonds1

About 1,3-benzothiazol-6-ylmethanamine;hydrochloride

1,3-benzothiazol-6-ylmethanamine;hydrochloride (PubChem CID 133063605) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 1,3-benzothiazol-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,3-benzothiazol-6-ylmethanamine;hydrochloride
PubChem CID133063605
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name1,3-benzothiazol-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2S.ClH/c9-4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4,9H2;1H
InChIKeyPVKQIXDKXJWXEG-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-6-yl)propan-1-amine
CID 69250616
5-(1,3-benzothiazol-6-ylmethyl)-1,3-thiazol-2-amine
CID 107800290
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
CID 68842404
N-[2-(1,3-benzothiazol-6-yl)ethyl]methanesulfonamide
CID 154705131
(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 7276691
6-[amino(1,3-benzothiazol-6-yloxy)phosphanyl]oxy-1,3-benzothiazole;hydrochloride
CID 175462374
[3-(1,3-benzothiazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 115003949
2-(1,3-benzothiazol-6-yl)-N-methoxy-N-methylacetamide
CID 86084701
3-(1,3-benzothiazol-6-yl)-2-bromo-1-cyclopropylpropan-1-one
CID 107801506
2,1,3-benzothiadiazol-5-ylmethanamine;hydrate;hydrochloride
CID 18526449
[3-(1,3-benzothiazol-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]methanol
CID 141368142

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-ylmethanamine;hydrochloride?
The IUPAC name of 1,3-benzothiazol-6-ylmethanamine;hydrochloride (CID 133063605) is 1,3-benzothiazol-6-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,3-benzothiazol-6-ylmethanamine;hydrochloride?
The canonical SMILES for 1,3-benzothiazol-6-ylmethanamine;hydrochloride is Cl.NCc1ccc2ncsc2c1.
What is the InChIKey of 1,3-benzothiazol-6-ylmethanamine;hydrochloride?
The InChIKey is PVKQIXDKXJWXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.ClH/c9-4-6-1-2-7-8(3-6)11-5-10-7;/h1-3,5H,4,9H2;1H.
What are the key properties of 1,3-benzothiazol-6-ylmethanamine;hydrochloride?
1,3-benzothiazol-6-ylmethanamine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 133063605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).