N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide

C16H18FN3OS — CID 1444836

IUPACN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide
SMILESCCCN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C16H18FN3OS/c1-2-9-20(15(21)11-5-3-6-11)16-19-18-14(22-16)12-7-4-8-13(17)10-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyRYCFPELOKHNPJT-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.89
Rot. Bonds5

About N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide

N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide (PubChem CID 1444836) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide
PubChem CID1444836
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide
SMILESCCCN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1
InChIInChI=1S/C16H18FN3OS/c1-2-9-20(15(21)11-5-3-6-11)16-19-18-14(22-16)12-7-4-8-13(17)10-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyRYCFPELOKHNPJT-UHFFFAOYSA-N
XLogP3.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide (CID 1444836) is N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide is CCCN(C(=O)C1CCC1)c1nnc(-c2cccc(F)c2)s1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide?
The InChIKey is RYCFPELOKHNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-2-9-20(15(21)11-5-3-6-11)16-19-18-14(22-16)12-7-4-8-13(17)10-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3.
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide?
N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-propylcyclobutanecarboxamide is sourced from PubChem (CID 1444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).