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

C19H23N3OS — CID 9420505

IUPACN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)cc1
InChIInChI=1S/C19H23N3OS/c1-12(2)18(23)20-14-9-7-13(8-10-14)17-11-24-19-21-15-5-3-4-6-16(15)22(17)19/h7-12,15-16H,3-6H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyBPZSYKZDYUXTCV-HOTGVXAUSA-N
MW341.48 g/mol
LogP4.31
Rot. Bonds3

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

N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide (PubChem CID 9420505) has the molecular formula C19H23N3OS and a molecular weight of 341.48 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]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide
PubChem CID9420505
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)cc1
InChIInChI=1S/C19H23N3OS/c1-12(2)18(23)20-14-9-7-13(8-10-14)17-11-24-19-21-15-5-3-4-6-16(15)22(17)19/h7-12,15-16H,3-6H2,1-2H3,(H,20,23)/t15-,16-/m0/s1
InChIKeyBPZSYKZDYUXTCV-HOTGVXAUSA-N
XLogP4.31
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide 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]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide (CID 9420505) is N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide.
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]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C2=CSC3=N[C@H]4CCCC[C@@H]4N23)cc1.
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]phenyl]-2-methylpropanamide?
The InChIKey is BPZSYKZDYUXTCV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-12(2)18(23)20-14-9-7-13(8-10-14)17-11-24-19-21-15-5-3-4-6-16(15)22(17)19/h7-12,15-16H,3-6H2,1-2H3,(H,20,23)/t15-,16-/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]phenyl]-2-methylpropanamide?
N-[4-[(4aS,8aS)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 341.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]phenyl]-2-methylpropanamide is sourced from PubChem (CID 9420505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).