7-chloro-4-iodo-1,3-benzothiazol-2-amine

C7H4ClIN2S — CID 146273761

IUPAC7-chloro-4-iodo-1,3-benzothiazol-2-amine
SMILESNc1nc2c(I)ccc(Cl)c2s1
InChIInChI=1S/C7H4ClIN2S/c8-3-1-2-4(9)5-6(3)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKeyWSEWDULMOFKAQG-UHFFFAOYSA-N
MW310.55 g/mol
LogP3.14
Rot. Bonds

About 7-chloro-4-iodo-1,3-benzothiazol-2-amine

7-chloro-4-iodo-1,3-benzothiazol-2-amine (PubChem CID 146273761) has the molecular formula C7H4ClIN2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 7-chloro-4-iodo-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-4-iodo-1,3-benzothiazol-2-amine
PubChem CID146273761
Molecular FormulaC7H4ClIN2S
Molecular Weight310.55 g/mol
Exact Mass309.88
IUPAC Name7-chloro-4-iodo-1,3-benzothiazol-2-amine
SMILESNc1nc2c(I)ccc(Cl)c2s1
InChIInChI=1S/C7H4ClIN2S/c8-3-1-2-4(9)5-6(3)12-7(10)11-5/h1-2H,(H2,10,11)
InChIKeyWSEWDULMOFKAQG-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-iodo-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-4-iodo-1,3-benzothiazol-2-amine (CID 146273761) is 7-chloro-4-iodo-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-4-iodo-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-4-iodo-1,3-benzothiazol-2-amine is Nc1nc2c(I)ccc(Cl)c2s1.
What is the InChIKey of 7-chloro-4-iodo-1,3-benzothiazol-2-amine?
The InChIKey is WSEWDULMOFKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2S/c8-3-1-2-4(9)5-6(3)12-7(10)11-5/h1-2H,(H2,10,11).
What are the key properties of 7-chloro-4-iodo-1,3-benzothiazol-2-amine?
7-chloro-4-iodo-1,3-benzothiazol-2-amine has a molecular weight of 310.55 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-iodo-1,3-benzothiazol-2-amine is sourced from PubChem (CID 146273761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).