[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

C19H23N3O2S2 — CID 49217018

IUPAC[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc2c1C
InChIInChI=1S/C19H23N3O2S2/c1-12-13(2)20-16-4-3-14(9-15(12)16)18(23)22-11-26-10-17(22)19(24)21-5-7-25-8-6-21/h3-4,9,17,20H,5-8,10-11H2,1-2H3
InChIKeyWWNYLCXFRPTUGP-UHFFFAOYSA-N
MW389.55 g/mol
LogP2.88
Rot. Bonds2

About [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 49217018) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID49217018
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1[nH]c2ccc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc2c1C
InChIInChI=1S/C19H23N3O2S2/c1-12-13(2)20-16-4-3-14(9-15(12)16)18(23)22-11-26-10-17(22)19(24)21-5-7-25-8-6-21/h3-4,9,17,20H,5-8,10-11H2,1-2H3
InChIKeyWWNYLCXFRPTUGP-UHFFFAOYSA-N
XLogP2.88
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
5-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]thiophene-2-carboxylic acid
CID 120549765
4-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183486
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
3,4-dihydro-1H-isoquinolin-2-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 4788431
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
[3-(1,5-dimethylpyrazole-4-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49216972
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (CID 49217018) is [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is Cc1[nH]c2ccc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc2c1C.
What is the InChIKey of [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is WWNYLCXFRPTUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c1-12-13(2)20-16-4-3-14(9-15(12)16)18(23)22-11-26-10-17(22)19(24)21-5-7-25-8-6-21/h3-4,9,17,20H,5-8,10-11H2,1-2H3.
What are the key properties of [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 389.55 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 49217018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).