2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate

C14H17N2O2S- — CID 171136654

IUPAC2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
SMILESCC(C)C1CCc2nc3scc(CC(=O)[O-])n3c2C1
InChIInChI=1S/C14H18N2O2S/c1-8(2)9-3-4-11-12(5-9)16-10(6-13(17)18)7-19-14(16)15-11/h7-9H,3-6H2,1-2H3,(H,17,18)/p-1
InChIKeyGVGGMQDWSWGLOW-UHFFFAOYSA-M
MW277.37 g/mol
LogP1.45
Rot. Bonds3

About 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate

2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate (PubChem CID 171136654) has the molecular formula C14H17N2O2S- and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
PubChem CID171136654
Molecular FormulaC14H17N2O2S-
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
SMILESCC(C)C1CCc2nc3scc(CC(=O)[O-])n3c2C1
InChIInChI=1S/C14H18N2O2S/c1-8(2)9-3-4-11-12(5-9)16-10(6-13(17)18)7-19-14(16)15-11/h7-9H,3-6H2,1-2H3,(H,17,18)/p-1
InChIKeyGVGGMQDWSWGLOW-UHFFFAOYSA-M
XLogP1.45
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The IUPAC name of 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate (CID 171136654) is 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate.
What is the SMILES notation for 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The canonical SMILES for 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate is CC(C)C1CCc2nc3scc(CC(=O)[O-])n3c2C1.
What is the InChIKey of 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The InChIKey is GVGGMQDWSWGLOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)9-3-4-11-12(5-9)16-10(6-13(17)18)7-19-14(16)15-11/h7-9H,3-6H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate has a molecular weight of 277.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propan-2-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate is sourced from PubChem (CID 171136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).