N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide

C15H14N4O2S — CID 67335328

IUPACN-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nn2c(-c3cccc(C(C)=O)c3)cnc2s1
InChIInChI=1S/C15H14N4O2S/c1-3-13(21)17-14-18-19-12(8-16-15(19)22-14)11-6-4-5-10(7-11)9(2)20/h4-8H,3H2,1-2H3,(H,17,18,21)
InChIKeyJTGCSPVFAXPELK-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.01
Rot. Bonds4

About N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide

N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide (PubChem CID 67335328) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide
PubChem CID67335328
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nn2c(-c3cccc(C(C)=O)c3)cnc2s1
InChIInChI=1S/C15H14N4O2S/c1-3-13(21)17-14-18-19-12(8-16-15(19)22-14)11-6-4-5-10(7-11)9(2)20/h4-8H,3H2,1-2H3,(H,17,18,21)
InChIKeyJTGCSPVFAXPELK-UHFFFAOYSA-N
XLogP3.01
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide (CID 67335328) is N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide is CCC(=O)Nc1nn2c(-c3cccc(C(C)=O)c3)cnc2s1.
What is the InChIKey of N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide?
The InChIKey is JTGCSPVFAXPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-3-13(21)17-14-18-19-12(8-16-15(19)22-14)11-6-4-5-10(7-11)9(2)20/h4-8H,3H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide?
N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide has a molecular weight of 314.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propanamide is sourced from PubChem (CID 67335328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).