(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole

C11H12N2S — CID 15939310

IUPAC(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole
SMILESC[C@@H]1SCCn2c1nc1ccccc12
InChIInChI=1S/C11H12N2S/c1-8-11-12-9-4-2-3-5-10(9)13(11)6-7-14-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyDDMDBQICHNQVLM-QMMMGPOBSA-N
MW204.30 g/mol
LogP2.84
Rot. Bonds

About (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole

(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole (PubChem CID 15939310) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole
PubChem CID15939310
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole
SMILESC[C@@H]1SCCn2c1nc1ccccc12
InChIInChI=1S/C11H12N2S/c1-8-11-12-9-4-2-3-5-10(9)13(11)6-7-14-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyDDMDBQICHNQVLM-QMMMGPOBSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole?
The IUPAC name of (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole (CID 15939310) is (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole.
What is the SMILES notation for (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole?
The canonical SMILES for (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole is C[C@@H]1SCCn2c1nc1ccccc12.
What is the InChIKey of (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole?
The InChIKey is DDMDBQICHNQVLM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-11-12-9-4-2-3-5-10(9)13(11)6-7-14-8/h2-5,8H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole?
(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole has a molecular weight of 204.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole is sourced from PubChem (CID 15939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).