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

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

CAS: 834892-59-0

Formula: C18H17FN4OS

SMILES: CCCCN(C(=O)C1=CC(F)=CC=C1)C1=NN=C(S1)C1=CC=NC=C1

IUPAC: N-butyl-3-fluoro-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide

InChI: InChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-5-4-6-15(19)12-14)18-22-21-16(25-18)13-7-9-20-10-8-13/h4-10,12H,2-3,11H2,1H3

Composition: C (60.66%), H (4.81%), F (5.33%), N (15.72%), O (4.49%), S (9.00%)

Molar Mass: 356.42

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	356.11071052
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QGTAWNDARKESDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.55
Topological Polar Surface Area	58.98
Polarizability	36.29
Ring Count	3
Rotatable Bond Count	6

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