(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide

C15H19ClN4OS2 — CID 20570157

IUPAC(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide
SMILESCC1CN(C(=S)Nc2cccc(Cl)c2)/C(=N\N2CCOCC2)S1
InChIInChI=1S/C15H19ClN4OS2/c1-11-10-20(14(22)17-13-4-2-3-12(16)9-13)15(23-11)18-19-5-7-21-8-6-19/h2-4,9,11H,5-8,10H2,1H3,(H,17,22)/b18-15+
InChIKeyYHONXVKYBJPADP-OBGWFSINSA-N
MW370.93 g/mol
LogP3.08
Rot. Bonds2

About (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide

(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide (PubChem CID 20570157) has the molecular formula C15H19ClN4OS2 and a molecular weight of 370.93 g/mol. Its IUPAC name is (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide
PubChem CID20570157
Molecular FormulaC15H19ClN4OS2
Molecular Weight370.93 g/mol
Exact Mass370.07
IUPAC Name(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide
SMILESCC1CN(C(=S)Nc2cccc(Cl)c2)/C(=N\N2CCOCC2)S1
InChIInChI=1S/C15H19ClN4OS2/c1-11-10-20(14(22)17-13-4-2-3-12(16)9-13)15(23-11)18-19-5-7-21-8-6-19/h2-4,9,11H,5-8,10H2,1H3,(H,17,22)/b18-15+
InChIKeyYHONXVKYBJPADP-OBGWFSINSA-N
XLogP3.08
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-cycloheptylimino-5-methyl-1,3-thiazolidine-3-carbothioamide
CID 12784215
N-(3-chlorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 12784223
N-(3-chlorophenyl)-5-methyl-2-(2-methylthiophen-3-yl)imino-1,3-thiazolidine-3-carbothioamide
CID 88763914
(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide
CID 20570141
N-(3-chlorophenyl)-2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 3707888
N-(3-chlorophenyl)-2-ethyl-1,3-thiazolidine-3-carbothioamide
CID 12783490
(5R)-2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116154
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chlorophenyl)-2-[(1E,7E)-cyclododeca-1,7-dien-1-yl]imino-1,3-thiazolidine-3-carbothioamide
CID 88765557
(2Z)-N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-3-carbothioamide
CID 51063004
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
N-(3-chlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole-1-carbothioamide
CID 66504646

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide (CID 20570157) is (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide is CC1CN(C(=S)Nc2cccc(Cl)c2)/C(=N\N2CCOCC2)S1.
What is the InChIKey of (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide?
The InChIKey is YHONXVKYBJPADP-OBGWFSINSA-N. The full InChI is InChI=1S/C15H19ClN4OS2/c1-11-10-20(14(22)17-13-4-2-3-12(16)9-13)15(23-11)18-19-5-7-21-8-6-19/h2-4,9,11H,5-8,10H2,1H3,(H,17,22)/b18-15+.
What are the key properties of (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide?
(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide has a molecular weight of 370.93 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 20570157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).