2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C59H76Cl2N6O9S8 — CID 157368011

IUPAC2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(C)c1ccc(-c2ccc(/C=C3\SC(=O)N(CCOCCOCCCCCCCl)C3=O)s2)s1.CN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1.CN(C)c1ccc(-c2ccc(C=O)s2)s1.NCCOCCOCCCCCCCl
InChIInChI=1S/C24H31ClN2O4S3.C14H12N2O2S3.C11H11NOS2.C10H22ClNO2/c1-26(2)22-10-9-20(33-22)19-8-7-18(32-19)17-21-23(28)27(24(29)34-21)12-14-31-16-15-30-13-6-4-3-5-11-25;1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11;1-12(2)11-6-5-10(15-11)9-4-3-8(7-13)14-9;11-5-3-1-2-4-7-13-9-10-14-8-6-12/h7-10,17H,3-6,11-16H2,1-2H3;3-7H,1-2H3,(H,15,17,18);3-7H,1-2H3;1-10,12H2/b21-17-;11-7-;;
InChIKeyBJKOKXFIKMPEHM-KHSNZHBOSA-N
MW1340.73 g/mol
LogP15.41
Rot. Bonds32

About 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 157368011) has the molecular formula C59H76Cl2N6O9S8 and a molecular weight of 1340.73 g/mol. Its IUPAC name is 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID157368011
Molecular FormulaC59H76Cl2N6O9S8
Molecular Weight1340.73 g/mol
Exact Mass1338.28
IUPAC Name2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN(C)c1ccc(-c2ccc(/C=C3\SC(=O)N(CCOCCOCCCCCCCl)C3=O)s2)s1.CN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1.CN(C)c1ccc(-c2ccc(C=O)s2)s1.NCCOCCOCCCCCCCl
InChIInChI=1S/C24H31ClN2O4S3.C14H12N2O2S3.C11H11NOS2.C10H22ClNO2/c1-26(2)22-10-9-20(33-22)19-8-7-18(32-19)17-21-23(28)27(24(29)34-21)12-14-31-16-15-30-13-6-4-3-5-11-25;1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11;1-12(2)11-6-5-10(15-11)9-4-3-8(7-13)14-9;11-5-3-1-2-4-7-13-9-10-14-8-6-12/h7-10,17H,3-6,11-16H2,1-2H3;3-7H,1-2H3,(H,15,17,18);3-7H,1-2H3;1-10,12H2/b21-17-;11-7-;;
InChIKeyBJKOKXFIKMPEHM-KHSNZHBOSA-N
XLogP15.41
TPSA173.28 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.73
LogP ≤ 515.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154615033
(5E)-3-[2-(4-chlorophenoxy)ethyl]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1206945
(5Z)-3-decyl-5-[[5-[5-[(Z)-(3-decyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140958644
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
(5Z)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione chloride
CID 21178192
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
(5E)-3-(2-methoxyethyl)-5-[(4-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126141968
3-butyl-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2929513
(5E)-3-(2-aminoethyl)-5-[[4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 90234725
5-[[5-(3,5-difluoro-2-hydroxyphenyl)thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75023402
(5Z)-3-(2-aminoethyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2415283
[5-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]-2-methylphenyl]-methyl-oxoazanium
CID 58107824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 157368011) is 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN(C)c1ccc(-c2ccc(/C=C3\SC(=O)N(CCOCCOCCCCCCCl)C3=O)s2)s1.CN(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)s2)s1.CN(C)c1ccc(-c2ccc(C=O)s2)s1.NCCOCCOCCCCCCCl.
What is the InChIKey of 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BJKOKXFIKMPEHM-KHSNZHBOSA-N. The full InChI is InChI=1S/C24H31ClN2O4S3.C14H12N2O2S3.C11H11NOS2.C10H22ClNO2/c1-26(2)22-10-9-20(33-22)19-8-7-18(32-19)17-21-23(28)27(24(29)34-21)12-14-31-16-15-30-13-6-4-3-5-11-25;1-16(2)12-6-5-10(20-12)9-4-3-8(19-9)7-11-13(17)15-14(18)21-11;1-12(2)11-6-5-10(15-11)9-4-3-8(7-13)14-9;11-5-3-1-2-4-7-13-9-10-14-8-6-12/h7-10,17H,3-6,11-16H2,1-2H3;3-7H,1-2H3,(H,15,17,18);3-7H,1-2H3;1-10,12H2/b21-17-;11-7-;;.
What are the key properties of 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 1340.73 g/mol, XLogP of 15.41, 32 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chlorohexoxy)ethoxy]ethanamine;(5Z)-3-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione;5-[5-(dimethylamino)thiophen-2-yl]thiophene-2-carbaldehyde;(5Z)-5-[[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157368011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).