3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine

C13H14Cl2N2S — CID 18316095

IUPAC3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2/SCCN2CC2CC2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c14-10-3-4-12(11(15)7-10)16-13-17(5-6-18-13)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2/b16-13+
InChIKeyWETLHAOZQLKMTE-DTQAZKPQSA-N
MW301.24 g/mol
LogP4.44
Rot. Bonds3

About 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine

3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine (PubChem CID 18316095) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine
PubChem CID18316095
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine
SMILESClc1ccc(/N=C2/SCCN2CC2CC2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2S/c14-10-3-4-12(11(15)7-10)16-13-17(5-6-18-13)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2/b16-13+
InChIKeyWETLHAOZQLKMTE-DTQAZKPQSA-N
XLogP4.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 18316200
4-chloro-2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 79582865
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197584
4-[(2,4-dichlorophenyl)methyl]thiomorpholine
CID 1377068
4-[(2,4-dichlorophenyl)methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 1487599
6-(2,4-dichlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 14145100
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554
2,4-dichloro-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 5177491
2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
CID 117003663
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
CID 141012571

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine (CID 18316095) is 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine is Clc1ccc(/N=C2/SCCN2CC2CC2)c(Cl)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine?
The InChIKey is WETLHAOZQLKMTE-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c14-10-3-4-12(11(15)7-10)16-13-17(5-6-18-13)8-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2/b16-13+.
What are the key properties of 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine?
3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine has a molecular weight of 301.24 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(2,4-dichlorophenyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 18316095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).