N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C15H17FN4OS2 — CID 2584876

IUPACN-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCC1
InChIInChI=1S/C15H17FN4OS2/c16-11-7-3-4-8-12(11)18-14-19-20-15(23-14)22-9-13(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,21)(H,18,19)
InChIKeyXQHCVQZEWADAOV-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.57
Rot. Bonds6

About N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2584876) has the molecular formula C15H17FN4OS2 and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2584876
Molecular FormulaC15H17FN4OS2
Molecular Weight352.46 g/mol
Exact Mass352.08
IUPAC NameN-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCC1
InChIInChI=1S/C15H17FN4OS2/c16-11-7-3-4-8-12(11)18-14-19-20-15(23-14)22-9-13(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,21)(H,18,19)
InChIKeyXQHCVQZEWADAOV-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2584876) is N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(Nc2ccccc2F)s1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XQHCVQZEWADAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS2/c16-11-7-3-4-8-12(11)18-14-19-20-15(23-14)22-9-13(21)17-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,21)(H,18,19).
What are the key properties of N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2584876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).