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

C18H17FN4OS — CID 70693630

IUPACN-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-8-4-5-9-15(14)19)18-22-21-16(25-18)13-7-6-10-20-12-13/h4-10,12H,2-3,11H2,1H3
InChIKeyKCEMFWGNOKFZSD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.19
Rot. Bonds6

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

N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 70693630) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID70693630
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-8-4-5-9-15(14)19)18-22-21-16(25-18)13-7-6-10-20-12-13/h4-10,12H,2-3,11H2,1H3
InChIKeyKCEMFWGNOKFZSD-UHFFFAOYSA-N
XLogP4.19
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2E)-5-{2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
CID 6866332
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 1447074
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
1-[[4-[5-[Butyl(pyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 45377940
2-[(4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
CID 2139589
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-nicotinamide
CID 646267
3-Cyano-N-methyl-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 647154
N-Methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-isonicotinamide
CID 649519
3-Cyano-N-methyl-N-(5-pyridin-2-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650716
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 651392
N-(2-Methoxy-ethyl)-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 653096

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 70693630) is N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is KCEMFWGNOKFZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)14-8-4-5-9-15(14)19)18-22-21-16(25-18)13-7-6-10-20-12-13/h4-10,12H,2-3,11H2,1H3.
What are the key properties of N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 70693630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).