4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one

C16H20N4O2S — CID 156570633

IUPAC4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one
SMILESNc1nc2cc(N3CCOCC3=O)ccc2n1C1CCSCC1
InChIInChI=1S/C16H20N4O2S/c17-16-18-13-9-12(19-5-6-22-10-15(19)21)1-2-14(13)20(16)11-3-7-23-8-4-11/h1-2,9,11H,3-8,10H2,(H2,17,18)
InChIKeyTWEGAJMGNUOORU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.05
Rot. Bonds2

About 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one

4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one (PubChem CID 156570633) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one
PubChem CID156570633
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one
SMILESNc1nc2cc(N3CCOCC3=O)ccc2n1C1CCSCC1
InChIInChI=1S/C16H20N4O2S/c17-16-18-13-9-12(19-5-6-22-10-15(19)21)1-2-14(13)20(16)11-3-7-23-8-4-11/h1-2,9,11H,3-8,10H2,(H2,17,18)
InChIKeyTWEGAJMGNUOORU-UHFFFAOYSA-N
XLogP2.05
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one?
The IUPAC name of 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one (CID 156570633) is 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one.
What is the SMILES notation for 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one?
The canonical SMILES for 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one is Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCSCC1.
What is the InChIKey of 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one?
The InChIKey is TWEGAJMGNUOORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-16-18-13-9-12(19-5-6-22-10-15(19)21)1-2-14(13)20(16)11-3-7-23-8-4-11/h1-2,9,11H,3-8,10H2,(H2,17,18).
What are the key properties of 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one?
4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one has a molecular weight of 332.43 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(thian-4-yl)benzimidazol-5-yl]morpholin-3-one is sourced from PubChem (CID 156570633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).