N-methyl-2,1-benzothiazol-3-amine;hydrochloride

C8H9ClN2S — CID 23617737

IUPACN-methyl-2,1-benzothiazol-3-amine;hydrochloride
SMILESCNc1snc2ccccc12.Cl
InChIInChI=1S/C8H8N2S.ClH/c1-9-8-6-4-2-3-5-7(6)10-11-8;/h2-5,9H,1H3;1H
InChIKeyFSIQCRXLXIIIBH-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.76
Rot. Bonds1

About N-methyl-2,1-benzothiazol-3-amine;hydrochloride

N-methyl-2,1-benzothiazol-3-amine;hydrochloride (PubChem CID 23617737) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is N-methyl-2,1-benzothiazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2,1-benzothiazol-3-amine;hydrochloride
PubChem CID23617737
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC NameN-methyl-2,1-benzothiazol-3-amine;hydrochloride
SMILESCNc1snc2ccccc12.Cl
InChIInChI=1S/C8H8N2S.ClH/c1-9-8-6-4-2-3-5-7(6)10-11-8;/h2-5,9H,1H3;1H
InChIKeyFSIQCRXLXIIIBH-UHFFFAOYSA-N
XLogP2.76
TPSA24.92 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CI-624
CID 16984
2,1-Benzothiazol-3-amine
CID 12293058
5-Methyl-2,1-benzisothiazol-3-amine
CID 175839
n-Ethyl-2,1-benzothiazol-3-amine
CID 168930
N-(2,1-Benzisothiazol-3-yl)acetamide
CID 16205073
N-(2,1-Benzisothiazole-3-yl)-2-chloroacetamide
CID 16205187
n-Propyl-2,1-benzothiazol-3-amine
CID 533425
3-Piperidin-1-yl-2,1-benzothiazole
CID 12482143
1-(2,1-Benzisothiazol-3-ylamino)-2,2,2-trichloroethanol
CID 12293057
N-(5-Methyl-2,1-benzisothiazol-3-yl)propanamide
CID 13497335
N-(5-Methyl-2,1-benzisothiazol-3-yl)butanamide
CID 13497336
3-(2-Methylpropyl)amino-2,1-benzisothiazole
CID 16204890

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,1-benzothiazol-3-amine;hydrochloride?
The IUPAC name of N-methyl-2,1-benzothiazol-3-amine;hydrochloride (CID 23617737) is N-methyl-2,1-benzothiazol-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-2,1-benzothiazol-3-amine;hydrochloride?
The canonical SMILES for N-methyl-2,1-benzothiazol-3-amine;hydrochloride is CNc1snc2ccccc12.Cl.
What is the InChIKey of N-methyl-2,1-benzothiazol-3-amine;hydrochloride?
The InChIKey is FSIQCRXLXIIIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.ClH/c1-9-8-6-4-2-3-5-7(6)10-11-8;/h2-5,9H,1H3;1H.
What are the key properties of N-methyl-2,1-benzothiazol-3-amine;hydrochloride?
N-methyl-2,1-benzothiazol-3-amine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,1-benzothiazol-3-amine;hydrochloride is sourced from PubChem (CID 23617737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).