1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

C20H18N4OS2 — CID 40808983

IUPAC1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESC[C@H]1c2ccsc2CCN1C(=O)Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C20H18N4OS2/c1-13-14-7-9-27-18(14)6-8-23(13)19(25)10-24-17-5-3-2-4-15(17)22-20(24)16-11-26-12-21-16/h2-5,7,9,11-13H,6,8,10H2,1H3/t13-/m0/s1
InChIKeyAVSGPXADIGJMKX-ZDUSSCGKSA-N
MW394.53 g/mol
LogP4.37
Rot. Bonds3

About 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (PubChem CID 40808983) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
PubChem CID40808983
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESC[C@H]1c2ccsc2CCN1C(=O)Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C20H18N4OS2/c1-13-14-7-9-27-18(14)6-8-23(13)19(25)10-24-17-5-3-2-4-15(17)22-20(24)16-11-26-12-21-16/h2-5,7,9,11-13H,6,8,10H2,1H3/t13-/m0/s1
InChIKeyAVSGPXADIGJMKX-ZDUSSCGKSA-N
XLogP4.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (CID 40808983) is 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is C[C@H]1c2ccsc2CCN1C(=O)Cn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The InChIKey is AVSGPXADIGJMKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-13-14-7-9-27-18(14)6-8-23(13)19(25)10-24-17-5-3-2-4-15(17)22-20(24)16-11-26-12-21-16/h2-5,7,9,11-13H,6,8,10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone has a molecular weight of 394.53 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 40808983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).