5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C24H27N5O3S — CID 71060825

IUPAC5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CCCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C24H27N5O3S/c1-29(2)19(30)7-5-3-4-6-16-8-10-17(11-9-16)22(32)28-24-20(21(25)31)27-23(33-24)18-12-14-26-15-13-18/h8-15H,3-7H2,1-2H3,(H2,25,31)(H,28,32)
InChIKeyJSEDXCDDIIVXQP-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.75
Rot. Bonds10

About 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71060825) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71060825
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)CCCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1
InChIInChI=1S/C24H27N5O3S/c1-29(2)19(30)7-5-3-4-6-16-8-10-17(11-9-16)22(32)28-24-20(21(25)31)27-23(33-24)18-12-14-26-15-13-18/h8-15H,3-7H2,1-2H3,(H2,25,31)(H,28,32)
InChIKeyJSEDXCDDIIVXQP-UHFFFAOYSA-N
XLogP3.75
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide 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 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71060825) is 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CN(C)C(=O)CCCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JSEDXCDDIIVXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-29(2)19(30)7-5-3-4-6-16-8-10-17(11-9-16)22(32)28-24-20(21(25)31)27-23(33-24)18-12-14-26-15-13-18/h8-15H,3-7H2,1-2H3,(H2,25,31)(H,28,32).
What are the key properties of 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[6-(dimethylamino)-6-oxohexyl]benzoyl]amino]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71060825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).