(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide

C18H25FN4S2 — CID 20570141

IUPAC(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide
SMILESCCC1CCN(/N=C2\SC(C)CN2C(=S)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4S2/c1-3-14-7-9-22(10-8-14)21-18-23(12-13(2)25-18)17(24)20-16-6-4-5-15(19)11-16/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,20,24)/b21-18-
InChIKeyORHXIBFLZDBXRH-UZYVYHOESA-N
MW380.56 g/mol
LogP4.35
Rot. Bonds3

About (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide

(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide (PubChem CID 20570141) has the molecular formula C18H25FN4S2 and a molecular weight of 380.56 g/mol. Its IUPAC name is (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide.

Molecular Properties

Compound Name(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide
PubChem CID20570141
Molecular FormulaC18H25FN4S2
Molecular Weight380.56 g/mol
Exact Mass380.15
IUPAC Name(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide
SMILESCCC1CCN(/N=C2\SC(C)CN2C(=S)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4S2/c1-3-14-7-9-22(10-8-14)21-18-23(12-13(2)25-18)17(24)20-16-6-4-5-15(19)11-16/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,20,24)/b21-18-
InChIKeyORHXIBFLZDBXRH-UZYVYHOESA-N
XLogP4.35
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2E)-N-(3-chlorophenyl)-5-methyl-2-morpholin-4-ylimino-1,3-thiazolidine-3-carbothioamide
CID 20570157
N-(3-chlorophenyl)-2-cycloheptylimino-5-methyl-1,3-thiazolidine-3-carbothioamide
CID 12784215
N-(3-chlorophenyl)-5-methyl-2-(2-methylthiophen-3-yl)imino-1,3-thiazolidine-3-carbothioamide
CID 88763914
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
N-(3-chlorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidine-3-carbothioamide
CID 12784223
2-tert-butyl-N-(3-fluorophenyl)-1,3-oxazolidine-3-carbothioamide
CID 21320185
(4aS,9bR)-N-(3-fluorophenyl)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carbothioamide
CID 6557529
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
(3R)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628249
(3S)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628247

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide?
The IUPAC name of (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide (CID 20570141) is (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide.
What is the SMILES notation for (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide?
The canonical SMILES for (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide is CCC1CCN(/N=C2\SC(C)CN2C(=S)Nc2cccc(F)c2)CC1.
What is the InChIKey of (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide?
The InChIKey is ORHXIBFLZDBXRH-UZYVYHOESA-N. The full InChI is InChI=1S/C18H25FN4S2/c1-3-14-7-9-22(10-8-14)21-18-23(12-13(2)25-18)17(24)20-16-6-4-5-15(19)11-16/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,20,24)/b21-18-.
What are the key properties of (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide?
(2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide has a molecular weight of 380.56 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-ethylpiperidin-1-yl)imino-N-(3-fluorophenyl)-5-methyl-1,3-thiazolidine-3-carbothioamide is sourced from PubChem (CID 20570141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).