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

C17H17Cl2N3OS — CID 45260478

IUPACindol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21
InChIInChI=1S/C17H15N3OS.2ClH/c21-17(20-9-7-12-4-1-2-6-15(12)20)14-11-22-16(19-14)13-5-3-8-18-10-13;;/h1-10,14,16,19H,11H2;2*1H
InChIKeyNTHIWYXXMHQZGN-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.92
Rot. Bonds2

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

indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride (PubChem CID 45260478) has the molecular formula C17H17Cl2N3OS and a molecular weight of 382.32 g/mol. Its IUPAC name is indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Nameindol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
PubChem CID45260478
Molecular FormulaC17H17Cl2N3OS
Molecular Weight382.32 g/mol
Exact Mass381.05
IUPAC Nameindol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21
InChIInChI=1S/C17H15N3OS.2ClH/c21-17(20-9-7-12-4-1-2-6-15(12)20)14-11-22-16(19-14)13-5-3-8-18-10-13;;/h1-10,14,16,19H,11H2;2*1H
InChIKeyNTHIWYXXMHQZGN-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The IUPAC name of indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride (CID 45260478) is indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CSC(c2cccnc2)N1)n1ccc2ccccc21.
What is the InChIKey of indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The InChIKey is NTHIWYXXMHQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS.2ClH/c21-17(20-9-7-12-4-1-2-6-15(12)20)14-11-22-16(19-14)13-5-3-8-18-10-13;;/h1-10,14,16,19H,11H2;2*1H.
What are the key properties of indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride?
indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride has a molecular weight of 382.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 45260478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).