N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide

C19H22N4O2S — CID 9420602

IUPACN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)c(NC(C)=O)c1
InChIInChI=1S/C19H22N4O2S/c1-11(24)20-13-7-8-14(16(9-13)21-12(2)25)18-10-26-19-22-15-5-3-4-6-17(15)23(18)19/h7-10,15,17H,3-6H2,1-2H3,(H,20,24)(H,21,25)/t15-,17-/m0/s1
InChIKeyOTXDFJRQRRJZFV-RDJZCZTQSA-N
MW370.48 g/mol
LogP3.63
Rot. Bonds3

About N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide

N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide (PubChem CID 9420602) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide
PubChem CID9420602
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)c(NC(C)=O)c1
InChIInChI=1S/C19H22N4O2S/c1-11(24)20-13-7-8-14(16(9-13)21-12(2)25)18-10-26-19-22-15-5-3-4-6-17(15)23(18)19/h7-10,15,17H,3-6H2,1-2H3,(H,20,24)(H,21,25)/t15-,17-/m0/s1
InChIKeyOTXDFJRQRRJZFV-RDJZCZTQSA-N
XLogP3.63
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide?
The IUPAC name of N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide (CID 9420602) is N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide.
What is the SMILES notation for N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide?
The canonical SMILES for N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide is CC(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)c(NC(C)=O)c1.
What is the InChIKey of N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide?
The InChIKey is OTXDFJRQRRJZFV-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11(24)20-13-7-8-14(16(9-13)21-12(2)25)18-10-26-19-22-15-5-3-4-6-17(15)23(18)19/h7-10,15,17H,3-6H2,1-2H3,(H,20,24)(H,21,25)/t15-,17-/m0/s1.
What are the key properties of N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide?
N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]-3-acetamidophenyl]acetamide is sourced from PubChem (CID 9420602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).