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

C18H17FN4OS — CID 70693632

IUPACN-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyVIAGWBYMKUJUDC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.19
Rot. Bonds6

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

N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 70693632) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID70693632
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3
InChIKeyVIAGWBYMKUJUDC-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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 70693632) is N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VIAGWBYMKUJUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-2-3-11-23(17(24)13-6-8-15(19)9-7-13)18-22-21-16(25-18)14-5-4-10-20-12-14/h4-10,12H,2-3,11H2,1H3.
What are the key properties of N-butyl-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
N-butyl-4-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-4-fluoro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 70693632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).