N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

C24H25N3O2S — CID 1458331

IUPACN-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCCC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21
InChIInChI=1S/C24H25N3O2S/c1-2-6-23(29)27-14-13-19-15-18(10-11-21(19)27)20-16-30-24(25-20)26-22(28)12-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16H,2,6,9,12-14H2,1H3,(H,25,26,28)
InChIKeyCTZNXCZITQTJCJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.07
Rot. Bonds7

About N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide

N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 1458331) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID1458331
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCCCC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21
InChIInChI=1S/C24H25N3O2S/c1-2-6-23(29)27-14-13-19-15-18(10-11-21(19)27)20-16-30-24(25-20)26-22(28)12-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16H,2,6,9,12-14H2,1H3,(H,25,26,28)
InChIKeyCTZNXCZITQTJCJ-UHFFFAOYSA-N
XLogP5.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 24761960
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 1450930
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 53347968
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 53262914
N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036
N-[4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 1450501
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 1438641
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 1458331) is N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is CCCC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21.
What is the InChIKey of N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is CTZNXCZITQTJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-2-6-23(29)27-14-13-19-15-18(10-11-21(19)27)20-16-30-24(25-20)26-22(28)12-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16H,2,6,9,12-14H2,1H3,(H,25,26,28).
What are the key properties of N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 419.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 1458331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).