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

C12H12FN3OS — CID 1080965

IUPACN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C12H12FN3OS/c1-2-5-10(17)14-12-16-15-11(18-12)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,16,17)
InChIKeyDAYJHPAIUDPWIH-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.08
Rot. Bonds4

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

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 1080965) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID1080965
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C12H12FN3OS/c1-2-5-10(17)14-12-16-15-11(18-12)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,16,17)
InChIKeyDAYJHPAIUDPWIH-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 1080965) is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(-c2ccccc2F)s1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is DAYJHPAIUDPWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-2-5-10(17)14-12-16-15-11(18-12)8-6-3-4-7-9(8)13/h3-4,6-7H,2,5H2,1H3,(H,14,16,17).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide?
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 265.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 1080965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).