4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine

C12H12N4O2S — CID 55115772

IUPAC4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc2nc(-c3csc(N)n3)[nH]c2cc1OC
InChIInChI=1S/C12H12N4O2S/c1-17-9-3-6-7(4-10(9)18-2)15-11(14-6)8-5-19-12(13)16-8/h3-5H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyWAPUMKKIMXLWIF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.29
Rot. Bonds3

About 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine

4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 55115772) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID55115772
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc2nc(-c3csc(N)n3)[nH]c2cc1OC
InChIInChI=1S/C12H12N4O2S/c1-17-9-3-6-7(4-10(9)18-2)15-11(14-6)8-5-19-12(13)16-8/h3-5H,1-2H3,(H2,13,16)(H,14,15)
InChIKeyWAPUMKKIMXLWIF-UHFFFAOYSA-N
XLogP2.29
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (CID 55115772) is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine is COc1cc2nc(-c3csc(N)n3)[nH]c2cc1OC.
What is the InChIKey of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is WAPUMKKIMXLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-17-9-3-6-7(4-10(9)18-2)15-11(14-6)8-5-19-12(13)16-8/h3-5H,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 276.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55115772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).