1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

C21H21N3OS — CID 1438641

IUPAC1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21
InChIInChI=1S/C21H21N3OS/c1-14(2)20(25)24-11-10-16-12-15(8-9-19(16)24)18-13-26-21(23-18)22-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,23)
InChIKeyFRXYGBLPMQAAIB-UHFFFAOYSA-N
MW363.49 g/mol
LogP5.10
Rot. Bonds4

About 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one

1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (PubChem CID 1438641) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
PubChem CID1438641
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21
InChIInChI=1S/C21H21N3OS/c1-14(2)20(25)24-11-10-16-12-15(8-9-19(16)24)18-13-26-21(23-18)22-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,23)
InChIKeyFRXYGBLPMQAAIB-UHFFFAOYSA-N
XLogP5.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 1451036
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
[(1S)-2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 1458291
1-[5-(2-amino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 167995697
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
3,4-difluoro-N-[4-[1-(2-methylbutanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 3226579
N-[4-(1-butanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 1458331
N-methyl-2-(3-methylphenyl)-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
CID 46953045
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 53348009
6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 166340362
2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
CID 95856017
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one (CID 1438641) is 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21.
What is the InChIKey of 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
The InChIKey is FRXYGBLPMQAAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-14(2)20(25)24-11-10-16-12-15(8-9-19(16)24)18-13-26-21(23-18)22-17-6-4-3-5-7-17/h3-9,12-14H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one?
1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one has a molecular weight of 363.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 1438641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).