2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

C24H32N4OS2 — CID 509861

IUPAC2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cccs3)s2)c(C(C)C)c1
InChIInChI=1S/C24H32N4OS2/c1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22(29)26-24-28-27-23(31-24)25-10-9-18-8-7-11-30-18/h7-8,11-16H,9-10H2,1-6H3,(H,25,27)(H,26,28,29)
InChIKeyXTHZRINUCZOGII-UHFFFAOYSA-N
MW456.68 g/mol
LogP6.88
Rot. Bonds9

About 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 509861) has the molecular formula C24H32N4OS2 and a molecular weight of 456.68 g/mol. Its IUPAC name is 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID509861
Molecular FormulaC24H32N4OS2
Molecular Weight456.68 g/mol
Exact Mass456.20
IUPAC Name2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cccs3)s2)c(C(C)C)c1
InChIInChI=1S/C24H32N4OS2/c1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22(29)26-24-28-27-23(31-24)25-10-9-18-8-7-11-30-18/h7-8,11-16H,9-10H2,1-6H3,(H,25,27)(H,26,28,29)
InChIKeyXTHZRINUCZOGII-UHFFFAOYSA-N
XLogP6.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-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

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 509861) is 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is CC(C)c1cc(C(C)C)c(C(=O)Nc2nnc(NCCc3cccs3)s2)c(C(C)C)c1.
What is the InChIKey of 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XTHZRINUCZOGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4OS2/c1-14(2)17-12-19(15(3)4)21(20(13-17)16(5)6)22(29)26-24-28-27-23(31-24)25-10-9-18-8-7-11-30-18/h7-8,11-16H,9-10H2,1-6H3,(H,25,27)(H,26,28,29).
What are the key properties of 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 456.68 g/mol, XLogP of 6.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tri(propan-2-yl)-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 509861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).