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

C9H9ClN2OS — CID 82549306

IUPAC5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Cl)c(OC)cc2s1
InChIInChI=1S/C9H9ClN2OS/c1-11-9-12-6-3-5(10)7(13-2)4-8(6)14-9/h3-4H,1-2H3,(H,11,12)
InChIKeyLNWOUWRGBHQBNR-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine

5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549306) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82549306
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cc(Cl)c(OC)cc2s1
InChIInChI=1S/C9H9ClN2OS/c1-11-9-12-6-3-5(10)7(13-2)4-8(6)14-9/h3-4H,1-2H3,(H,11,12)
InChIKeyLNWOUWRGBHQBNR-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-6-methoxy-1,3-benzothiazole
CID 83841308
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
5-chloro-6-methoxy-1,3-benzothiazole-2-carbonitrile
CID 58427760
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 953037
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 3582023
2-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39107200
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3332338
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 3909142
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
4-chloro-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 40614068

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine (CID 82549306) is 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2cc(Cl)c(OC)cc2s1.
What is the InChIKey of 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is LNWOUWRGBHQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-11-9-12-6-3-5(10)7(13-2)4-8(6)14-9/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine?
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).