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

C14H16N4O2S — CID 79397652

IUPAC4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C14H16N4O2S/c1-7-12(14(15-2)21-18-7)13-16-8-5-10(19-3)11(20-4)6-9(8)17-13/h5-6,15H,1-4H3,(H,16,17)
InChIKeyIGZPRMSIGUKUEE-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.05
Rot. Bonds4

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

4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79397652) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79397652
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C14H16N4O2S/c1-7-12(14(15-2)21-18-7)13-16-8-5-10(19-3)11(20-4)6-9(8)17-13/h5-6,15H,1-4H3,(H,16,17)
InChIKeyIGZPRMSIGUKUEE-UHFFFAOYSA-N
XLogP3.05
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.05
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)-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (CID 79397652) is 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc2cc(OC)c(OC)cc2[nH]1.
What is the InChIKey of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is IGZPRMSIGUKUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-7-12(14(15-2)21-18-7)13-16-8-5-10(19-3)11(20-4)6-9(8)17-13/h5-6,15H,1-4H3,(H,16,17).
What are the key properties of 4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 304.38 g/mol, XLogP of 3.05, 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)-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79397652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).