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

C8H7ClN2S — CID 14988135

IUPAC7-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyQTCLZYBMLMPNOF-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.99
Rot. Bonds1

About 7-chloro-N-methyl-1,3-benzothiazol-2-amine

7-chloro-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 14988135) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 7-chloro-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-1,3-benzothiazol-2-amine
PubChem CID14988135
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name7-chloro-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2cccc(Cl)c2s1
InChIInChI=1S/C8H7ClN2S/c1-10-8-11-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3,(H,10,11)
InChIKeyQTCLZYBMLMPNOF-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-methyl-1,3-benzothiazol-2-amine (CID 14988135) is 7-chloro-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2cccc(Cl)c2s1.
What is the InChIKey of 7-chloro-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is QTCLZYBMLMPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-10-8-11-6-4-2-3-5(9)7(6)12-8/h2-4H,1H3,(H,10,11).
What are the key properties of 7-chloro-N-methyl-1,3-benzothiazol-2-amine?
7-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 7-chloro-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14988135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).