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

C18H17N3OS — CID 10019097

IUPAC(6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1
InChIInChI=1S/C18H17N3OS/c1-11-4-5-13-14(9-20-15(13)7-11)17(22)16-10-23-18(21-16)12-3-2-6-19-8-12/h2-9,16,18,20-21H,10H2,1H3/t16-,18?/m0/s1
InChIKeyXZSHXGFHRFTVCV-ATNAJCNCSA-N
MW323.42 g/mol
LogP3.46
Rot. Bonds3

About (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

(6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10019097) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10019097
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESCc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1
InChIInChI=1S/C18H17N3OS/c1-11-4-5-13-14(9-20-15(13)7-11)17(22)16-10-23-18(21-16)12-3-2-6-19-8-12/h2-9,16,18,20-21H,10H2,1H3/t16-,18?/m0/s1
InChIKeyXZSHXGFHRFTVCV-ATNAJCNCSA-N
XLogP3.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10019097) is (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is Cc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)c[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is XZSHXGFHRFTVCV-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-4-5-13-14(9-20-15(13)7-11)17(22)16-10-23-18(21-16)12-3-2-6-19-8-12/h2-9,16,18,20-21H,10H2,1H3/t16-,18?/m0/s1.
What are the key properties of (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
(6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 323.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10019097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).