N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide

C17H19FN4O2S — CID 32512747

IUPACN-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCCc1nnsc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-2-14-15(25-21-20-14)17(24)22-9-7-13(8-10-22)19-16(23)11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,23)
InChIKeyUCRXGOZJUQHPHR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 32512747) has the molecular formula C17H19FN4O2S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID32512747
Molecular FormulaC17H19FN4O2S
Molecular Weight362.43 g/mol
Exact Mass362.12
IUPAC NameN-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESCCc1nnsc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H19FN4O2S/c1-2-14-15(25-21-20-14)17(24)22-9-7-13(8-10-22)19-16(23)11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,23)
InChIKeyUCRXGOZJUQHPHR-UHFFFAOYSA-N
XLogP2.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
4-ethyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]thiadiazole-5-carboxamide
CID 38213671
N-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 34796702
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-[1-(3-aminobutanoyl)piperidin-4-yl]-4-fluorobenzamide;hydrochloride
CID 119709967

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide (CID 32512747) is N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide is CCc1nnsc1C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is UCRXGOZJUQHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2S/c1-2-14-15(25-21-20-14)17(24)22-9-7-13(8-10-22)19-16(23)11-3-5-12(18)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,19,23).
What are the key properties of N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 32512747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).