[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

C14H17Cl3N2O2S — CID 119341914

IUPAC[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O2S.ClH/c15-11-2-1-9(5-12(11)16)20-10-3-4-18(6-10)14(19)13-7-21-8-17-13;/h1-2,5,10,13,17H,3-4,6-8H2;1H
InChIKeyMKKYIHXSVBCNPY-UHFFFAOYSA-N
MW383.73 g/mol
LogP3.06
Rot. Bonds3

About [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119341914) has the molecular formula C14H17Cl3N2O2S and a molecular weight of 383.73 g/mol. Its IUPAC name is [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119341914
Molecular FormulaC14H17Cl3N2O2S
Molecular Weight383.73 g/mol
Exact Mass382.01
IUPAC Name[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H16Cl2N2O2S.ClH/c15-11-2-1-9(5-12(11)16)20-10-3-4-18(6-10)14(19)13-7-21-8-17-13;/h1-2,5,10,13,17H,3-4,6-8H2;1H
InChIKeyMKKYIHXSVBCNPY-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124697933
[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]-[(2S,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125135306
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333
(4-cyclopentyloxypiperidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312931
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815621
2-amino-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796027
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119341914) is [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CSCN1)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is MKKYIHXSVBCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2S.ClH/c15-11-2-1-9(5-12(11)16)20-10-3-4-18(6-10)14(19)13-7-21-8-17-13;/h1-2,5,10,13,17H,3-4,6-8H2;1H.
What are the key properties of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 383.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119341914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).