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

C8H7ClN2S — CID 58841117

IUPAC6-chloro-5-methyl-1,2-benzothiazol-3-amine
SMILESCc1cc2c(N)nsc2cc1Cl
InChIInChI=1S/C8H7ClN2S/c1-4-2-5-7(3-6(4)9)12-11-8(5)10/h2-3H,1H3,(H2,10,11)
InChIKeyNJRIGQVDTQTEAA-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.84
Rot. Bonds

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

6-chloro-5-methyl-1,2-benzothiazol-3-amine (PubChem CID 58841117) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 6-chloro-5-methyl-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-1,2-benzothiazol-3-amine
PubChem CID58841117
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name6-chloro-5-methyl-1,2-benzothiazol-3-amine
SMILESCc1cc2c(N)nsc2cc1Cl
InChIInChI=1S/C8H7ClN2S/c1-4-2-5-7(3-6(4)9)12-11-8(5)10/h2-3H,1H3,(H2,10,11)
InChIKeyNJRIGQVDTQTEAA-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1,2-benzothiazol-3-amine?
The IUPAC name of 6-chloro-5-methyl-1,2-benzothiazol-3-amine (CID 58841117) is 6-chloro-5-methyl-1,2-benzothiazol-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-1,2-benzothiazol-3-amine?
The canonical SMILES for 6-chloro-5-methyl-1,2-benzothiazol-3-amine is Cc1cc2c(N)nsc2cc1Cl.
What is the InChIKey of 6-chloro-5-methyl-1,2-benzothiazol-3-amine?
The InChIKey is NJRIGQVDTQTEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-2-5-7(3-6(4)9)12-11-8(5)10/h2-3H,1H3,(H2,10,11).
What are the key properties of 6-chloro-5-methyl-1,2-benzothiazol-3-amine?
6-chloro-5-methyl-1,2-benzothiazol-3-amine has a molecular weight of 198.68 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1,2-benzothiazol-3-amine is sourced from PubChem (CID 58841117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).