(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C19H19N3OS — CID 10246465

IUPAC(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1
InChIInChI=1S/C19H19N3OS/c1-11-5-6-15-14(8-11)17(12(2)21-15)18(23)16-10-24-19(22-16)13-4-3-7-20-9-13/h3-9,16,19,21-22H,10H2,1-2H3/t16-,19?/m0/s1
InChIKeyRBNQXICCPSZXGJ-UCFFOFKASA-N
MW337.45 g/mol
LogP3.77
Rot. Bonds3

About (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10246465) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10246465
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1
InChIInChI=1S/C19H19N3OS/c1-11-5-6-15-14(8-11)17(12(2)21-15)18(23)16-10-24-19(22-16)13-4-3-7-20-9-13/h3-9,16,19,21-22H,10H2,1-2H3/t16-,19?/m0/s1
InChIKeyRBNQXICCPSZXGJ-UCFFOFKASA-N
XLogP3.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10246465) is (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is Cc1ccc2[nH]c(C)c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c2c1.
What is the InChIKey of (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is RBNQXICCPSZXGJ-UCFFOFKASA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-5-6-15-14(8-11)17(12(2)21-15)18(23)16-10-24-19(22-16)13-4-3-7-20-9-13/h3-9,16,19,21-22H,10H2,1-2H3/t16-,19?/m0/s1.
What are the key properties of (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 337.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10246465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).