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

C16H16FN5O3S2 — CID 2477045

IUPACN-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C16H16FN5O3S2/c17-10-4-1-2-5-11(10)18-15-20-21-16(27-15)26-9-13(24)19-12(23)8-22-7-3-6-14(22)25/h1-2,4-5H,3,6-9H2,(H,18,20)(H,19,23,24)
InChIKeyZXZCZYHZPHTTDT-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.78
Rot. Bonds7

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

N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 2477045) has the molecular formula C16H16FN5O3S2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID2477045
Molecular FormulaC16H16FN5O3S2
Molecular Weight409.47 g/mol
Exact Mass409.07
IUPAC NameN-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C16H16FN5O3S2/c17-10-4-1-2-5-11(10)18-15-20-21-16(27-15)26-9-13(24)19-12(23)8-22-7-3-6-14(22)25/h1-2,4-5H,3,6-9H2,(H,18,20)(H,19,23,24)
InChIKeyZXZCZYHZPHTTDT-UHFFFAOYSA-N
XLogP1.78
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 2477045) is N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is ZXZCZYHZPHTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S2/c17-10-4-1-2-5-11(10)18-15-20-21-16(27-15)26-9-13(24)19-12(23)8-22-7-3-6-14(22)25/h1-2,4-5H,3,6-9H2,(H,18,20)(H,19,23,24).
What are the key properties of N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 409.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2477045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).