4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide

C13H12N4O3S — CID 173150144

IUPAC4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nc(-c3csc(C(N)=O)n3)[nH]c2cc1OC
InChIInChI=1S/C13H12N4O3S/c1-19-9-3-6-7(4-10(9)20-2)16-12(15-6)8-5-21-13(17-8)11(14)18/h3-5H,1-2H3,(H2,14,18)(H,15,16)
InChIKeyXUZZWVBTPMCMBF-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.80
Rot. Bonds4

About 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide

4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 173150144) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID173150144
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide
SMILESCOc1cc2nc(-c3csc(C(N)=O)n3)[nH]c2cc1OC
InChIInChI=1S/C13H12N4O3S/c1-19-9-3-6-7(4-10(9)20-2)16-12(15-6)8-5-21-13(17-8)11(14)18/h3-5H,1-2H3,(H2,14,18)(H,15,16)
InChIKeyXUZZWVBTPMCMBF-UHFFFAOYSA-N
XLogP1.80
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.80
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-thiazole-2-carboxamide?
The IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide (CID 173150144) is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide is COc1cc2nc(-c3csc(C(N)=O)n3)[nH]c2cc1OC.
What is the InChIKey of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is XUZZWVBTPMCMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-19-9-3-6-7(4-10(9)20-2)16-12(15-6)8-5-21-13(17-8)11(14)18/h3-5H,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide?
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.80, 4 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-thiazole-2-carboxamide is sourced from PubChem (CID 173150144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).