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

C15H17FN4O2S2 — CID 3614153

IUPAC2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NCC1CCCO1
InChIInChI=1S/C15H17FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-2,5-6,10H,3-4,7-9H2,(H,17,21)(H,18,19)
InChIKeyPMHLBUIHYDLSCG-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds7

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

2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3614153) has the molecular formula C15H17FN4O2S2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3614153
Molecular FormulaC15H17FN4O2S2
Molecular Weight368.46 g/mol
Exact Mass368.08
IUPAC Name2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1nnc(Nc2ccccc2F)s1)NCC1CCCO1
InChIInChI=1S/C15H17FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-2,5-6,10H,3-4,7-9H2,(H,17,21)(H,18,19)
InChIKeyPMHLBUIHYDLSCG-UHFFFAOYSA-N
XLogP2.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3614153) is 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1nnc(Nc2ccccc2F)s1)NCC1CCCO1.
What is the InChIKey of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PMHLBUIHYDLSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S2/c16-11-5-1-2-6-12(11)18-14-19-20-15(24-14)23-9-13(21)17-8-10-4-3-7-22-10/h1-2,5-6,10H,3-4,7-9H2,(H,17,21)(H,18,19).
What are the key properties of 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3614153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).