6-chloro-N-methyl-1,3-benzothiazol-2-amine

C8H7ClN2S — CID 10774358

IUPAC6-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyLZCBQCKLQRWOJK-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.99
Rot. Bonds1

About 6-chloro-N-methyl-1,3-benzothiazol-2-amine

6-chloro-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 10774358) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 6-chloro-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-1,3-benzothiazol-2-amine
PubChem CID10774358
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name6-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyLZCBQCKLQRWOJK-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278880

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-methyl-1,3-benzothiazol-2-amine (CID 10774358) is 6-chloro-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is LZCBQCKLQRWOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-10-8-11-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3,(H,10,11).
What are the key properties of 6-chloro-N-methyl-1,3-benzothiazol-2-amine?
6-chloro-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 198.68 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 10774358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).