1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine

C10H13N3OS — CID 18449216

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2nc(C(N)CN)sc2c1
InChIInChI=1S/C10H13N3OS/c1-14-6-2-3-8-9(4-6)15-10(13-8)7(12)5-11/h2-4,7H,5,11-12H2,1H3
InChIKeyRDBBZBVWBJEDNV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.26
Rot. Bonds3

About 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine

1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine (PubChem CID 18449216) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
PubChem CID18449216
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
SMILESCOc1ccc2nc(C(N)CN)sc2c1
InChIInChI=1S/C10H13N3OS/c1-14-6-2-3-8-9(4-6)15-10(13-8)7(12)5-11/h2-4,7H,5,11-12H2,1H3
InChIKeyRDBBZBVWBJEDNV-UHFFFAOYSA-N
XLogP1.26
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine (CID 18449216) is 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine is COc1ccc2nc(C(N)CN)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
The InChIKey is RDBBZBVWBJEDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-14-6-2-3-8-9(4-6)15-10(13-8)7(12)5-11/h2-4,7H,5,11-12H2,1H3.
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine?
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine has a molecular weight of 223.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 18449216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).