4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide

C15H15ClFN5OS — CID 138630460

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(=Cc3ncc(Cl)cc3F)CC2)n1
InChIInChI=1S/C15H15ClFN5OS/c1-9-19-14(24-21-9)20-15(23)22-4-2-10(3-5-22)6-13-12(17)7-11(16)8-18-13/h6-8H,2-5H2,1H3,(H,19,20,21,23)
InChIKeyRVRNLXGJTCZHLG-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.75
Rot. Bonds2

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

4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 138630460) has the molecular formula C15H15ClFN5OS and a molecular weight of 367.84 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
PubChem CID138630460
Molecular FormulaC15H15ClFN5OS
Molecular Weight367.84 g/mol
Exact Mass367.07
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCC(=Cc3ncc(Cl)cc3F)CC2)n1
InChIInChI=1S/C15H15ClFN5OS/c1-9-19-14(24-21-9)20-15(23)22-4-2-10(3-5-22)6-13-12(17)7-11(16)8-18-13/h6-8H,2-5H2,1H3,(H,19,20,21,23)
InChIKeyRVRNLXGJTCZHLG-UHFFFAOYSA-N
XLogP3.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[ethyl(methyl)amino]-2,6-difluorophenyl]methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630392
4-[[4-(3-aminopropylamino)-2-fluorophenyl]methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138630466
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
7-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46994855
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2,3-dimethyl-4-pyridinyl)piperidine-1-carboxamide
CID 138687839
4-[(4-chloro-2-fluorophenyl)methyl]-N-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 138608855
5-cyano-6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 46984766
6-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 46983234
4-benzyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46992089
4-[(4-chloro-2-fluorophenyl)methylidene]-N-(2-cyclopropyl-4-pyridinyl)piperidine-1-carboxamide
CID 138608827
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide (CID 138630460) is 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is Cc1nsc(NC(=O)N2CCC(=Cc3ncc(Cl)cc3F)CC2)n1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is RVRNLXGJTCZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5OS/c1-9-19-14(24-21-9)20-15(23)22-4-2-10(3-5-22)6-13-12(17)7-11(16)8-18-13/h6-8H,2-5H2,1H3,(H,19,20,21,23).
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide?
4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)methylidene]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 138630460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).