(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide

C18H17ClN2OS2 — CID 51063004

IUPAC(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide
SMILESCOc1ccc(/C=C2\SCCN2C(=S)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2OS2/c1-22-16-7-5-13(6-8-16)11-17-21(9-10-24-17)18(23)20-15-4-2-3-14(19)12-15/h2-8,11-12H,9-10H2,1H3,(H,20,23)/b17-11-
InChIKeyKSIJRLQVTPDJQO-BOPFTXTBSA-N
MW376.93 g/mol
LogP5.09
Rot. Bonds3

About (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide

(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide (PubChem CID 51063004) has the molecular formula C18H17ClN2OS2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide
PubChem CID51063004
Molecular FormulaC18H17ClN2OS2
Molecular Weight376.93 g/mol
Exact Mass376.05
IUPAC Name(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide
SMILESCOc1ccc(/C=C2\SCCN2C(=S)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H17ClN2OS2/c1-22-16-7-5-13(6-8-16)11-17-21(9-10-24-17)18(23)20-15-4-2-3-14(19)12-15/h2-8,11-12H,9-10H2,1H3,(H,20,23)/b17-11-
InChIKeyKSIJRLQVTPDJQO-BOPFTXTBSA-N
XLogP5.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 3707888
1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methylideneamino]thiourea
CID 75087460
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
N-(3-chlorophenyl)-2-[(1E,7E)-cyclododeca-1,7-dien-1-yl]imino-1,3-thiazolidine-3-carbothioamide
CID 88765557
1-(3-chlorophenyl)-3-[[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]amino]thiourea
CID 9480036
N-(3-methoxyphenyl)thiomorpholine-4-carbothioamide
CID 125475588
N-(3-chlorophenyl)-2-ethyl-1,3-thiazolidine-3-carbothioamide
CID 12783490
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
1-(3-chlorophenyl)-3-[5-[(4-methoxyphenyl)methylidene]-1-methyl-4-oxoimidazolidin-2-ylidene]urea
CID 137122963
N-(3-chlorophenyl)-2-(2-methylpropylimino)-1,3-thiazolidine-3-carboxamide
CID 5171375
N-(3-chlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504646
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide (CID 51063004) is (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide is COc1ccc(/C=C2\SCCN2C(=S)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide?
The InChIKey is KSIJRLQVTPDJQO-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H17ClN2OS2/c1-22-16-7-5-13(6-8-16)11-17-21(9-10-24-17)18(23)20-15-4-2-3-14(19)12-15/h2-8,11-12H,9-10H2,1H3,(H,20,23)/b17-11-.
What are the key properties of (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide?
(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide has a molecular weight of 376.93 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 51063004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).