5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide

C17H14FN3OS — CID 57083975

IUPAC5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1ccccc1
InChIInChI=1S/C17H14FN3OS/c1-11(12-5-3-2-4-6-12)19-15(22)17-21-20-16(23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/t11-/m1/s1
InChIKeyJYDMQFZNSZSOSC-LLVKDONJSA-N
MW327.38 g/mol
LogP3.84
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide

5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57083975) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID57083975
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1ccccc1
InChIInChI=1S/C17H14FN3OS/c1-11(12-5-3-2-4-6-12)19-15(22)17-21-20-16(23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/t11-/m1/s1
InChIKeyJYDMQFZNSZSOSC-LLVKDONJSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 57083975) is 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is C[C@@H](NC(=O)c1nnc(-c2ccc(F)cc2)s1)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JYDMQFZNSZSOSC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11(12-5-3-2-4-6-12)19-15(22)17-21-20-16(23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57083975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).