4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde

C18H15N3O2S — CID 57278302

IUPAC4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
SMILESO=CN1C(C(=O)c2c[nH]c3ccccc23)CSC1c1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-11-21-16(10-24-18(21)12-4-3-7-19-8-12)17(23)14-9-20-15-6-2-1-5-13(14)15/h1-9,11,16,18,20H,10H2
InChIKeyPKKHIVDUFQBZTL-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.02
Rot. Bonds4

About 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde

4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde (PubChem CID 57278302) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
PubChem CID57278302
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
SMILESO=CN1C(C(=O)c2c[nH]c3ccccc23)CSC1c1cccnc1
InChIInChI=1S/C18H15N3O2S/c22-11-21-16(10-24-18(21)12-4-3-7-19-8-12)17(23)14-9-20-15-6-2-1-5-13(14)15/h1-9,11,16,18,20H,10H2
InChIKeyPKKHIVDUFQBZTL-UHFFFAOYSA-N
XLogP3.02
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-indol-3-yl-(2-pyridin-3-yl-1,3-dithiolan-4-yl)methanone
CID 56977414
tert-butyl 4-(2-methyl-1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carboxylate
CID 57053887
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
(7-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 11723716
acetic acid;3-acetyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 67943827
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-phenyl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629705
1H-indol-3-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186064
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-hydroxyphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629272
(2R,4R)-3-phenylmethoxycarbonyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 68804126
1H-indol-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114096973

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde (CID 57278302) is 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde is O=CN1C(C(=O)c2c[nH]c3ccccc23)CSC1c1cccnc1.
What is the InChIKey of 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is PKKHIVDUFQBZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-11-21-16(10-24-18(21)12-4-3-7-19-8-12)17(23)14-9-20-15-6-2-1-5-13(14)15/h1-9,11,16,18,20H,10H2.
What are the key properties of 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde has a molecular weight of 337.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 57278302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).