3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide

C26H33N5O4S — CID 3922099

IUPAC3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(N3CCN(c4cccc(C)c4)CC3)s2)cc(OCC)c1OCC
InChIInChI=1S/C26H33N5O4S/c1-5-33-21-16-19(17-22(34-6-2)23(21)35-7-3)24(32)27-25-28-29-26(36-25)31-13-11-30(12-14-31)20-10-8-9-18(4)15-20/h8-10,15-17H,5-7,11-14H2,1-4H3,(H,27,28,32)
InChIKeyGDJUHUYNEPLUJY-UHFFFAOYSA-N
MW511.65 g/mol
LogP4.62
Rot. Bonds10

About 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide

3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3922099) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3922099
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC Name3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(N3CCN(c4cccc(C)c4)CC3)s2)cc(OCC)c1OCC
InChIInChI=1S/C26H33N5O4S/c1-5-33-21-16-19(17-22(34-6-2)23(21)35-7-3)24(32)27-25-28-29-26(36-25)31-13-11-30(12-14-31)20-10-8-9-18(4)15-20/h8-10,15-17H,5-7,11-14H2,1-4H3,(H,27,28,32)
InChIKeyGDJUHUYNEPLUJY-UHFFFAOYSA-N
XLogP4.62
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[4-(3,5-dimethylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 3537697
3,4,5-triethoxy-N-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 5029627
4-ethoxy-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081648
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 154738743
N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 18561209
3,4,5-triethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4062314
3,4,5-triethoxy-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3749207
1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22510522
3,4,5-triethoxy-N-[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 16825490
N-[5-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 44956708
N-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 40833002

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide (CID 3922099) is 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide is CCOc1cc(C(=O)Nc2nnc(N3CCN(c4cccc(C)c4)CC3)s2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is GDJUHUYNEPLUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-5-33-21-16-19(17-22(34-6-2)23(21)35-7-3)24(32)27-25-28-29-26(36-25)31-13-11-30(12-14-31)20-10-8-9-18(4)15-20/h8-10,15-17H,5-7,11-14H2,1-4H3,(H,27,28,32).
What are the key properties of 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide?
3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 511.65 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3922099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).