(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride

C17H16Cl3N3OS — CID 45264313

IUPAC(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3OS.2ClH/c18-13-4-3-11-5-7-21(15(11)8-13)17(22)14-10-23-16(20-14)12-2-1-6-19-9-12;;/h1-9,14,16,20H,10H2;2*1H
InChIKeyRXAYGUCLAPAFQT-UHFFFAOYSA-N
MW416.76 g/mol
LogP4.58
Rot. Bonds2

About (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride

(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride (PubChem CID 45264313) has the molecular formula C17H16Cl3N3OS and a molecular weight of 416.76 g/mol. Its IUPAC name is (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
PubChem CID45264313
Molecular FormulaC17H16Cl3N3OS
Molecular Weight416.76 g/mol
Exact Mass415.01
IUPAC Name(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClN3OS.2ClH/c18-13-4-3-11-5-7-21(15(11)8-13)17(22)14-10-23-16(20-14)12-2-1-6-19-9-12;;/h1-9,14,16,20H,10H2;2*1H
InChIKeyRXAYGUCLAPAFQT-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The IUPAC name of (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride (CID 45264313) is (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccc(Cl)cc21.
What is the InChIKey of (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The InChIKey is RXAYGUCLAPAFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS.2ClH/c18-13-4-3-11-5-7-21(15(11)8-13)17(22)14-10-23-16(20-14)12-2-1-6-19-9-12;;/h1-9,14,16,20H,10H2;2*1H.
What are the key properties of (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
(6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride has a molecular weight of 416.76 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroindol-1-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 45264313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).