3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

C17H17FN4O2S — CID 45491290

IUPAC3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCn1ccc2ccc(F)cc21)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C17H17FN4O2S/c18-12-4-3-11-5-7-22(13(11)10-12)8-6-15(23)19-17-21-20-16(25-17)14-2-1-9-24-14/h3-5,7,10,14H,1-2,6,8-9H2,(H,19,21,23)
InChIKeyUSXIIVCBKDNEQA-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.51
Rot. Bonds5

About 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide

3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 45491290) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID45491290
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESO=C(CCn1ccc2ccc(F)cc21)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C17H17FN4O2S/c18-12-4-3-11-5-7-22(13(11)10-12)8-6-15(23)19-17-21-20-16(25-17)14-2-1-9-24-14/h3-5,7,10,14H,1-2,6,8-9H2,(H,19,21,23)
InChIKeyUSXIIVCBKDNEQA-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide (CID 45491290) is 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is O=C(CCn1ccc2ccc(F)cc21)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is USXIIVCBKDNEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-12-4-3-11-5-7-22(13(11)10-12)8-6-15(23)19-17-21-20-16(25-17)14-2-1-9-24-14/h3-5,7,10,14H,1-2,6,8-9H2,(H,19,21,23).
What are the key properties of 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 360.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroindol-1-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 45491290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).