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'}

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
7-(Piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638596
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CID 841628
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384

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).