N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide

C13H13F2N3OS — CID 51935776

IUPACN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H](C)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3OS/c1-3-11-12(20-18-17-11)13(19)16-7(2)9-6-8(14)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,19)/t7-/m1/s1
InChIKeyQYCSKBQVRIHQLF-SSDOTTSWSA-N
MW297.33 g/mol
LogP2.87
Rot. Bonds4

About N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide

N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 51935776) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID51935776
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC NameN-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H](C)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3OS/c1-3-11-12(20-18-17-11)13(19)16-7(2)9-6-8(14)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,19)/t7-/m1/s1
InChIKeyQYCSKBQVRIHQLF-SSDOTTSWSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 51935776) is N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H](C)c1cc(F)ccc1F.
What is the InChIKey of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is QYCSKBQVRIHQLF-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-3-11-12(20-18-17-11)13(19)16-7(2)9-6-8(14)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,19)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 51935776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).