[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

C12H11N3OS2 — CID 79511931

IUPAC[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc2nc(-c3csc(CN)n3)sc2c1
InChIInChI=1S/C12H11N3OS2/c1-16-7-2-3-8-10(4-7)18-12(15-8)9-6-17-11(5-13)14-9/h2-4,6H,5,13H2,1H3
InChIKeyZUGJJJCJYQRGPR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.89
Rot. Bonds3

About [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 79511931) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID79511931
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCOc1ccc2nc(-c3csc(CN)n3)sc2c1
InChIInChI=1S/C12H11N3OS2/c1-16-7-2-3-8-10(4-7)18-12(15-8)9-6-17-11(5-13)14-9/h2-4,6H,5,13H2,1H3
InChIKeyZUGJJJCJYQRGPR-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79142702
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
2-[4-(6-bromo-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 79534126
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
CID 158604119
CID 158604119
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79146804
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 79511931) is [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is COc1ccc2nc(-c3csc(CN)n3)sc2c1.
What is the InChIKey of [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZUGJJJCJYQRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-16-7-2-3-8-10(4-7)18-12(15-8)9-6-17-11(5-13)14-9/h2-4,6H,5,13H2,1H3.
What are the key properties of [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 79511931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).