N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide

C20H24N4O3S — CID 156515483

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCN(C)C
InChIInChI=1S/C20H24N4O3S/c1-13-17(19(26)21-8-10-27-11-9-24(2)3)23-20(28-13)18(25)15-12-22-16-7-5-4-6-14(15)16/h4-7,12,22H,8-11H2,1-3H3,(H,21,26)
InChIKeyNWWPDDKHRZJQRP-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.47
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 156515483) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID156515483
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCN(C)C
InChIInChI=1S/C20H24N4O3S/c1-13-17(19(26)21-8-10-27-11-9-24(2)3)23-20(28-13)18(25)15-12-22-16-7-5-4-6-14(15)16/h4-7,12,22H,8-11H2,1-3H3,(H,21,26)
InChIKeyNWWPDDKHRZJQRP-UHFFFAOYSA-N
XLogP2.47
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.47
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

1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
2-[2-(dimethylamino)ethoxy]ethyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 156515524
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
CID 159302887
N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 56933510
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethane
CID 156795825
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
6-N-[2-(dimethylamino)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109096308

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 156515483) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NWWPDDKHRZJQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-17(19(26)21-8-10-27-11-9-24(2)3)23-20(28-13)18(25)15-12-22-16-7-5-4-6-14(15)16/h4-7,12,22H,8-11H2,1-3H3,(H,21,26).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156515483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).