2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid

C12H14N2O2S — CID 43464883

IUPAC2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESCC1CCc2nc3scc(CC(=O)O)n3c2C1
InChIInChI=1S/C12H14N2O2S/c1-7-2-3-9-10(4-7)14-8(5-11(15)16)6-17-12(14)13-9/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyVWGQJVNVVZFRAP-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.15
Rot. Bonds2

About 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid

2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 43464883) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
PubChem CID43464883
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESCC1CCc2nc3scc(CC(=O)O)n3c2C1
InChIInChI=1S/C12H14N2O2S/c1-7-2-3-9-10(4-7)14-8(5-11(15)16)6-17-12(14)13-9/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyVWGQJVNVVZFRAP-UHFFFAOYSA-N
XLogP2.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (CID 43464883) is 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is CC1CCc2nc3scc(CC(=O)O)n3c2C1.
What is the InChIKey of 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is VWGQJVNVVZFRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-7-2-3-9-10(4-7)14-8(5-11(15)16)6-17-12(14)13-9/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 250.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 43464883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).