4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C17H21FN4OS — CID 30864299

IUPAC4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H21FN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23)
InChIKeyPECFMNYGYJPFST-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.33
Rot. Bonds4

About 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 30864299) has the molecular formula C17H21FN4OS and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID30864299
Molecular FormulaC17H21FN4OS
Molecular Weight348.45 g/mol
Exact Mass348.14
IUPAC Name4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCCc1nnc(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H21FN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23)
InChIKeyPECFMNYGYJPFST-UHFFFAOYSA-N
XLogP3.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 30864299) is 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CCc1nnc(C2CCN(C(=O)NCc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is PECFMNYGYJPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4OS/c1-2-15-20-21-16(24-15)13-7-9-22(10-8-13)17(23)19-11-12-3-5-14(18)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,19,23).
What are the key properties of 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 30864299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).