N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide

C20H24N6O4S2 — CID 90165478

IUPACN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(C)=O)s3)s2)cc1OC
InChIInChI=1S/C20H24N6O4S2/c1-12(27)21-19-25-23-17(31-19)6-4-5-7-18-24-26-20(32-18)22-16(28)11-13-8-9-14(29-2)15(10-13)30-3/h8-10H,4-7,11H2,1-3H3,(H,21,25,27)(H,22,26,28)
InChIKeyKWQVGEHOVRGDFL-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.11
Rot. Bonds11

About N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide

N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 90165478) has the molecular formula C20H24N6O4S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID90165478
Molecular FormulaC20H24N6O4S2
Molecular Weight476.58 g/mol
Exact Mass476.13
IUPAC NameN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(C)=O)s3)s2)cc1OC
InChIInChI=1S/C20H24N6O4S2/c1-12(27)21-19-25-23-17(31-19)6-4-5-7-18-24-26-20(32-18)22-16(28)11-13-8-9-14(29-2)15(10-13)30-3/h8-10H,4-7,11H2,1-3H3,(H,21,25,27)(H,22,26,28)
InChIKeyKWQVGEHOVRGDFL-UHFFFAOYSA-N
XLogP3.11
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide 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

2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
2-(3,4-dimethoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17320259
2-[3-(2-methoxyphenyl)phenyl]-N-[5-[4-[5-[[2-[3-(2-methoxyphenyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982588
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
CID 45489482
methyl 5-[5-[[2-(4-methylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]pentanoate
CID 71534293
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
2-(4-hydroxy-3-methoxyphenyl)-N-[5-[4-[6-(2-phenylethylamino)pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 142294973
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-fluoro-6-methylphenyl)acetamide
CID 145342907
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide (CID 90165478) is N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(C)=O)s3)s2)cc1OC.
What is the InChIKey of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is KWQVGEHOVRGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S2/c1-12(27)21-19-25-23-17(31-19)6-4-5-7-18-24-26-20(32-18)22-16(28)11-13-8-9-14(29-2)15(10-13)30-3/h8-10H,4-7,11H2,1-3H3,(H,21,25,27)(H,22,26,28).
What are the key properties of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 90165478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).