5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine

C8H8ClN3S — CID 82508790

IUPAC5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESNCc1cc2nc(N)sc2cc1Cl
InChIInChI=1S/C8H8ClN3S/c9-5-2-7-6(1-4(5)3-10)12-8(11)13-7/h1-2H,3,10H2,(H2,11,12)
InChIKeyVLPTXYSJUUTHDB-UHFFFAOYSA-N
MW213.69 g/mol
LogP1.99
Rot. Bonds1

About 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine

5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine (PubChem CID 82508790) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine
PubChem CID82508790
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine
SMILESNCc1cc2nc(N)sc2cc1Cl
InChIInChI=1S/C8H8ClN3S/c9-5-2-7-6(1-4(5)3-10)12-8(11)13-7/h1-2H,3,10H2,(H2,11,12)
InChIKeyVLPTXYSJUUTHDB-UHFFFAOYSA-N
XLogP1.99
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine (CID 82508790) is 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine is NCc1cc2nc(N)sc2cc1Cl.
What is the InChIKey of 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine?
The InChIKey is VLPTXYSJUUTHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-5-2-7-6(1-4(5)3-10)12-8(11)13-7/h1-2H,3,10H2,(H2,11,12).
What are the key properties of 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine?
5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine has a molecular weight of 213.69 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-chloro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82508790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).