N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

C14H15FN4OS — CID 56783250

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCCC1
InChIInChI=1S/C14H15FN4OS/c15-11-5-3-4-10(8-11)9-12-17-18-13(21-12)16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,18,20)
InChIKeyBJUBHFZUOHRMGN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds3

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

N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 56783250) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID56783250
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCCC1
InChIInChI=1S/C14H15FN4OS/c15-11-5-3-4-10(8-11)9-12-17-18-13(21-12)16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,18,20)
InChIKeyBJUBHFZUOHRMGN-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (CID 56783250) is N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1nnc(Cc2cccc(F)c2)s1)N1CCCC1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is BJUBHFZUOHRMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-11-5-3-4-10(8-11)9-12-17-18-13(21-12)16-14(20)19-6-1-2-7-19/h3-5,8H,1-2,6-7,9H2,(H,16,18,20).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 56783250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).