3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride

C12H17Cl3N2S2 — CID 3038789

IUPAC3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2S2.ClH/c13-10-7-11(14)12(15-8-10)18-5-2-1-3-16-4-6-17-9-16;/h7-8H,1-6,9H2;1H
InChIKeyPDVQJRZXKZSVMU-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.69
Rot. Bonds6

About 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride

3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride (PubChem CID 3038789) has the molecular formula C12H17Cl3N2S2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride
PubChem CID3038789
Molecular FormulaC12H17Cl3N2S2
Molecular Weight359.78 g/mol
Exact Mass357.99
IUPAC Name3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride
SMILESCl.Clc1cnc(SCCCCN2CCSC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2S2.ClH/c13-10-7-11(14)12(15-8-10)18-5-2-1-3-16-4-6-17-9-16;/h7-8H,1-6,9H2;1H
InChIKeyPDVQJRZXKZSVMU-UHFFFAOYSA-N
XLogP4.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride?
The IUPAC name of 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride (CID 3038789) is 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride is Cl.Clc1cnc(SCCCCN2CCSC2)c(Cl)c1.
What is the InChIKey of 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride?
The InChIKey is PDVQJRZXKZSVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2S2.ClH/c13-10-7-11(14)12(15-8-10)18-5-2-1-3-16-4-6-17-9-16;/h7-8H,1-6,9H2;1H.
What are the key properties of 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride?
3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride has a molecular weight of 359.78 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dichloro-2-pyridinyl)sulfanyl]butyl]-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 3038789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).