5-chloro-1,3-benzothiazol-4-amine

C7H5ClN2S — CID 21486281

IUPAC5-chloro-1,3-benzothiazol-4-amine
SMILESNc1c(Cl)ccc2scnc12
InChIInChI=1S/C7H5ClN2S/c8-4-1-2-5-7(6(4)9)10-3-11-5/h1-3H,9H2
InChIKeyMYLQPGDEVXPATO-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.53
Rot. Bonds

About 5-chloro-1,3-benzothiazol-4-amine

5-chloro-1,3-benzothiazol-4-amine (PubChem CID 21486281) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 5-chloro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-1,3-benzothiazol-4-amine
PubChem CID21486281
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name5-chloro-1,3-benzothiazol-4-amine
SMILESNc1c(Cl)ccc2scnc12
InChIInChI=1S/C7H5ClN2S/c8-4-1-2-5-7(6(4)9)10-3-11-5/h1-3H,9H2
InChIKeyMYLQPGDEVXPATO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-1,3-benzothiazol-4-amine (CID 21486281) is 5-chloro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-1,3-benzothiazol-4-amine is Nc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-1,3-benzothiazol-4-amine?
The InChIKey is MYLQPGDEVXPATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c8-4-1-2-5-7(6(4)9)10-3-11-5/h1-3H,9H2.
What are the key properties of 5-chloro-1,3-benzothiazol-4-amine?
5-chloro-1,3-benzothiazol-4-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 5-chloro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 21486281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).