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

C7H5ClN2S — CID 7226

IUPAC6-chloro-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyVMNXKIDUTPOHPO-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.53
Rot. Bonds

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

6-chloro-1,3-benzothiazol-2-amine (PubChem CID 7226) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 6-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-1,3-benzothiazol-2-amine
PubChem CID7226
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name6-chloro-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyVMNXKIDUTPOHPO-UHFFFAOYSA-N
XLogP2.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-1,3-benzothiazol-2-amine (CID 7226) is 6-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-1,3-benzothiazol-2-amine is Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-1,3-benzothiazol-2-amine?
The InChIKey is VMNXKIDUTPOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 6-chloro-1,3-benzothiazol-2-amine?
6-chloro-1,3-benzothiazol-2-amine has a molecular weight of 184.65 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).