N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C16H23N7O3S — CID 110427112

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCc2nn3c(C)nnc3s2)CC1
InChIInChI=1S/C16H23N7O3S/c1-11-18-19-16-23(11)20-14(27-16)4-3-13(25)17-6-5-15(26)22-9-7-21(8-10-22)12(2)24/h3-10H2,1-2H3,(H,17,25)
InChIKeyRVRDRJAIOREUOX-UHFFFAOYSA-N
MW393.47 g/mol
LogP-0.38
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110427112) has the molecular formula C16H23N7O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110427112
Molecular FormulaC16H23N7O3S
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)CCc2nn3c(C)nnc3s2)CC1
InChIInChI=1S/C16H23N7O3S/c1-11-18-19-16-23(11)20-14(27-16)4-3-13(25)17-6-5-15(26)22-9-7-21(8-10-22)12(2)24/h3-10H2,1-2H3,(H,17,25)
InChIKeyRVRDRJAIOREUOX-UHFFFAOYSA-N
XLogP-0.38
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide 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 N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110427112) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is CC(=O)N1CCN(C(=O)CCNC(=O)CCc2nn3c(C)nnc3s2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is RVRDRJAIOREUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3S/c1-11-18-19-16-23(11)20-14(27-16)4-3-13(25)17-6-5-15(26)22-9-7-21(8-10-22)12(2)24/h3-10H2,1-2H3,(H,17,25).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 393.47 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110427112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).