methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate

C17H15N3O2S — CID 19846127

IUPACmethyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)nc1n2CC(c2ccccn2)S1
InChIInChI=1S/C17H15N3O2S/c1-10-7-13-14(8-11(10)16(21)22-2)20-9-15(23-17(20)19-13)12-5-3-4-6-18-12/h3-8,15H,9H2,1-2H3
InChIKeyQOAFDJMGYUCSQL-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.37
Rot. Bonds2

About methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate

methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate (PubChem CID 19846127) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate
PubChem CID19846127
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Namemethyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)nc1n2CC(c2ccccn2)S1
InChIInChI=1S/C17H15N3O2S/c1-10-7-13-14(8-11(10)16(21)22-2)20-9-15(23-17(20)19-13)12-5-3-4-6-18-12/h3-8,15H,9H2,1-2H3
InChIKeyQOAFDJMGYUCSQL-UHFFFAOYSA-N
XLogP3.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate?
The IUPAC name of methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate (CID 19846127) is methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate?
The canonical SMILES for methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate is COC(=O)c1cc2c(cc1C)nc1n2CC(c2ccccn2)S1.
What is the InChIKey of methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate?
The InChIKey is QOAFDJMGYUCSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-7-13-14(8-11(10)16(21)22-2)20-9-15(23-17(20)19-13)12-5-3-4-6-18-12/h3-8,15H,9H2,1-2H3.
What are the key properties of methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate?
methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate has a molecular weight of 325.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-pyridin-2-yl-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole-7-carboxylate is sourced from PubChem (CID 19846127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).