(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

C20H16N2O2S2 — CID 1091921

IUPAC(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESO=S(=O)(C[C@@H]1CSc2nc3ccccc3n21)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2S2/c23-26(24,17-10-9-14-5-1-2-6-15(14)11-17)13-16-12-25-20-21-18-7-3-4-8-19(18)22(16)20/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyXTGNAUWVWPYELY-INIZCTEOSA-N
MW380.49 g/mol
LogP4.31
Rot. Bonds3

About (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 1091921) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID1091921
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESO=S(=O)(C[C@@H]1CSc2nc3ccccc3n21)c1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2S2/c23-26(24,17-10-9-14-5-1-2-6-15(14)11-17)13-16-12-25-20-21-18-7-3-4-8-19(18)22(16)20/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyXTGNAUWVWPYELY-INIZCTEOSA-N
XLogP4.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 1091921) is (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is O=S(=O)(C[C@@H]1CSc2nc3ccccc3n21)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is XTGNAUWVWPYELY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-26(24,17-10-9-14-5-1-2-6-15(14)11-17)13-16-12-25-20-21-18-7-3-4-8-19(18)22(16)20/h1-11,16H,12-13H2/t16-/m0/s1.
What are the key properties of (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
(1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 380.49 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(naphthalen-2-ylsulfonylmethyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 1091921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).