4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H19FN4OS — CID 71946415

IUPAC4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN4OS/c17-13-6-4-12(5-7-13)15(22)18-16-20-19-14(23-16)8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H,18,20,22)
InChIKeyFJIRBZDKHSEDFP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds5

About 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 71946415) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID71946415
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(F)cc1
InChIInChI=1S/C16H19FN4OS/c17-13-6-4-12(5-7-13)15(22)18-16-20-19-14(23-16)8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H,18,20,22)
InChIKeyFJIRBZDKHSEDFP-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946418
4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7370765
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
1-(4-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581221
5-[3-[2-(azepan-1-yl)ethylamino]-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354640
1-(4-fluorobenzoyl)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17224045
1-(4-chlorophenyl)sulfonyl-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 1083888
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 11291008

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 71946415) is 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(CCN2CCCCC2)s1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FJIRBZDKHSEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c17-13-6-4-12(5-7-13)15(22)18-16-20-19-14(23-16)8-11-21-9-2-1-3-10-21/h4-7H,1-3,8-11H2,(H,18,20,22).
What are the key properties of 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 71946415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).