3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C16H20BrN3O3S — CID 1406350

IUPAC3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2cc(OC)c(OC)cc2Br)s1
InChIInChI=1S/C16H20BrN3O3S/c1-4-5-15-19-20-16(24-15)18-14(21)7-6-10-8-12(22-2)13(23-3)9-11(10)17/h8-9H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyCPSNZEMIKXIECX-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.84
Rot. Bonds8

About 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1406350) has the molecular formula C16H20BrN3O3S and a molecular weight of 414.33 g/mol. Its IUPAC name is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1406350
Molecular FormulaC16H20BrN3O3S
Molecular Weight414.33 g/mol
Exact Mass413.04
IUPAC Name3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCc2cc(OC)c(OC)cc2Br)s1
InChIInChI=1S/C16H20BrN3O3S/c1-4-5-15-19-20-16(24-15)18-14(21)7-6-10-8-12(22-2)13(23-3)9-11(10)17/h8-9H,4-7H2,1-3H3,(H,18,20,21)
InChIKeyCPSNZEMIKXIECX-UHFFFAOYSA-N
XLogP3.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-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

Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 1406351
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 9109738
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
2-(2-methoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5202520
2-(3,4-dimethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2208286
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-butylphenyl)propanamide
CID 2071397
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9192636
3-(2-bromo-4,5-dimethoxyphenyl)-N-butylpropanamide
CID 2071413
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1402591
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methoxyphenyl)propanamide
CID 1406231

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 1406350) is 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCc2cc(OC)c(OC)cc2Br)s1.
What is the InChIKey of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is CPSNZEMIKXIECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3S/c1-4-5-15-19-20-16(24-15)18-14(21)7-6-10-8-12(22-2)13(23-3)9-11(10)17/h8-9H,4-7H2,1-3H3,(H,18,20,21).
What are the key properties of 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 414.33 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1406350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).