N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine

C15H14ClN3S — CID 24788545

IUPACN-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2\SCCN2Cc2ccccn2)cc1
InChIInChI=1S/C15H14ClN3S/c16-12-4-6-13(7-5-12)18-15-19(9-10-20-15)11-14-3-1-2-8-17-14/h1-8H,9-11H2/b18-15-
InChIKeySOUIGZGEBBMOIV-SDXDJHTJSA-N
MW303.82 g/mol
LogP3.97
Rot. Bonds3

About N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine

N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 24788545) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID24788545
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2\SCCN2Cc2ccccn2)cc1
InChIInChI=1S/C15H14ClN3S/c16-12-4-6-13(7-5-12)18-15-19(9-10-20-15)11-14-3-1-2-8-17-14/h1-8H,9-11H2/b18-15-
InChIKeySOUIGZGEBBMOIV-SDXDJHTJSA-N
XLogP3.97
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-quinoline
CID 78860791
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 135057308
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)-1,3-thiazolidin-4-ol
CID 127049749
4-(pyridin-2-ylmethyl)-1,7-dithia-4,10-diazacyclododecane
CID 102482924
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
CID 102253209
CID 102253209
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine (CID 24788545) is N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine is Clc1ccc(/N=C2\SCCN2Cc2ccccn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is SOUIGZGEBBMOIV-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-12-4-6-13(7-5-12)18-15-19(9-10-20-15)11-14-3-1-2-8-17-14/h1-8H,9-11H2/b18-15-.
What are the key properties of N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine?
N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 303.82 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 24788545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).