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

C18H15N3O2S — CID 10088444

IUPAC(4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
SMILESO=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12
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/t16-,18?/m0/s1
InChIKeyPKKHIVDUFQBZTL-ATNAJCNCSA-N
MW337.40 g/mol
LogP3.02
Rot. Bonds4

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

(4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde (PubChem CID 10088444) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
PubChem CID10088444
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name(4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde
SMILESO=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12
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/t16-,18?/m0/s1
InChIKeyPKKHIVDUFQBZTL-ATNAJCNCSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The IUPAC name of (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde (CID 10088444) is (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde.
What is the SMILES notation for (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The canonical SMILES for (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde is O=CN1C(c2cccnc2)SC[C@H]1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
The InChIKey is PKKHIVDUFQBZTL-ATNAJCNCSA-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/t16-,18?/m0/s1.
What are the key properties of (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde?
(4R)-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 (4R)-4-(1H-indole-3-carbonyl)-2-pyridin-3-yl-1,3-thiazolidine-3-carbaldehyde is sourced from PubChem (CID 10088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).