(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C17H21N3O3S — CID 95174264

IUPAC(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C)ccc21
InChIInChI=1S/C17H21N3O3S/c1-11(21)19-7-6-12-8-13(4-5-14(12)19)16(22)20-10-24-9-15(20)17(23)18(2)3/h4-5,8,15H,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyALQWBPKLQFFNJE-OAHLLOKOSA-N
MW347.44 g/mol
LogP1.20
Rot. Bonds2

About (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95174264) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID95174264
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C)ccc21
InChIInChI=1S/C17H21N3O3S/c1-11(21)19-7-6-12-8-13(4-5-14(12)19)16(22)20-10-24-9-15(20)17(23)18(2)3/h4-5,8,15H,6-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyALQWBPKLQFFNJE-OAHLLOKOSA-N
XLogP1.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(3S)-4-(1-acetyl-2,3-dihydroindole-5-carbonyl)morpholine-3-carboxylic acid
CID 125133422
N,N-dimethyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 136518419
3-[3-(furan-3-yl)benzoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 75434211
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-[6-[(2S,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224831
1-[6-[(2R,3S)-2,3-dimethylthiomorpholine-4-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 97224833
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-5-yl]ethanone
CID 110746141
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 95174264) is (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CC(=O)N1CCc2cc(C(=O)N3CSC[C@@H]3C(=O)N(C)C)ccc21.
What is the InChIKey of (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ALQWBPKLQFFNJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-11(21)19-7-6-12-8-13(4-5-14(12)19)16(22)20-10-24-9-15(20)17(23)18(2)3/h4-5,8,15H,6-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
(4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(1-acetyl-2,3-dihydroindole-5-carbonyl)-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).