(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C18H20ClFN4O2S — CID 138608816

IUPAC(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCC1CN(C(=O)Nc2nc(C)ns2)CC/C1=C/c1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN4O2S/c1-11-21-17(27-23-11)22-18(25)24-6-5-12(14(9-24)10-26-2)7-13-3-4-15(19)8-16(13)20/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,21,22,23,25)/b12-7-
InChIKeyKSOQVOJTJCOLSP-GHXNOFRVSA-N
MW410.90 g/mol
LogP4.22
Rot. Bonds4

About (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138608816) has the molecular formula C18H20ClFN4O2S and a molecular weight of 410.90 g/mol. Its IUPAC name is (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138608816
Molecular FormulaC18H20ClFN4O2S
Molecular Weight410.90 g/mol
Exact Mass410.10
IUPAC Name(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCOCC1CN(C(=O)Nc2nc(C)ns2)CC/C1=C/c1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN4O2S/c1-11-21-17(27-23-11)22-18(25)24-6-5-12(14(9-24)10-26-2)7-13-3-4-15(19)8-16(13)20/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,21,22,23,25)/b12-7-
InChIKeyKSOQVOJTJCOLSP-GHXNOFRVSA-N
XLogP4.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethyl)-1,2,4-thiadiazol-5-yl]-4-[(4-chloro-2-fluorophenyl)methylidene]piperidine-1-carboxamide
CID 138608782
4-[(4-chloro-2-fluorophenyl)methylidene]-N-[3-(2-cyanoethyl)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
CID 138608784
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608797
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-3,3-dimethyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608808
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608809
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608815
4-[(4-chloro-2,6-difluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608817
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(2-methoxyethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608826
4-[(4-chloro-2,6-difluorophenyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608829
4-[(4-chloro-2-fluorophenyl)methyl]-N-[3-(methylamino)-1,2,4-thiadiazol-5-yl]piperidine-1-carboxamide
CID 138608834
4-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608836
(4E)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608840

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138608816) is (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is COCC1CN(C(=O)Nc2nc(C)ns2)CC/C1=C/c1ccc(Cl)cc1F.
What is the InChIKey of (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KSOQVOJTJCOLSP-GHXNOFRVSA-N. The full InChI is InChI=1S/C18H20ClFN4O2S/c1-11-21-17(27-23-11)22-18(25)24-6-5-12(14(9-24)10-26-2)7-13-3-4-15(19)8-16(13)20/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,21,22,23,25)/b12-7-.
What are the key properties of (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
(4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 410.90 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-chloro-2-fluorophenyl)methylidene]-3-(methoxymethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).