N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C23H23N3O2S — CID 26783293

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)s2)cc1
InChIInChI=1S/C23H23N3O2S/c1-4-16-5-7-17(8-6-16)23-24-14(2)21(29-23)22(28)25-19-9-10-20-18(13-19)11-12-26(20)15(3)27/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)
InChIKeyHRLGXFQCOWYAAF-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.84
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 26783293) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID26783293
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)s2)cc1
InChIInChI=1S/C23H23N3O2S/c1-4-16-5-7-17(8-6-16)23-24-14(2)21(29-23)22(28)25-19-9-10-20-18(13-19)11-12-26(20)15(3)27/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)
InChIKeyHRLGXFQCOWYAAF-UHFFFAOYSA-N
XLogP4.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
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N-[3-(cyclopropylcarbamoyl)phenyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24506420
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methyl-1,2-oxazole-5-carboxamide
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methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
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1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
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N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617967
N-(2,6-diethylphenyl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16562743
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 26783293) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)CCN4C(C)=O)s2)cc1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HRLGXFQCOWYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-4-16-5-7-17(8-6-16)23-24-14(2)21(29-23)22(28)25-19-9-10-20-18(13-19)11-12-26(20)15(3)27/h5-10,13H,4,11-12H2,1-3H3,(H,25,28).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26783293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).