5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide

C17H13F2N3OS — CID 57243430

IUPAC5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1ccccc1
InChIInChI=1S/C17H13F2N3OS/c1-10(11-5-3-2-4-6-11)20-15(23)17-22-21-16(24-17)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23)/t10-/m0/s1
InChIKeyXSEUFQPBFFVRKZ-JTQLQIEISA-N
MW345.37 g/mol
LogP3.97
Rot. Bonds4

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

5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 57243430) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID57243430
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1ccccc1
InChIInChI=1S/C17H13F2N3OS/c1-10(11-5-3-2-4-6-11)20-15(23)17-22-21-16(24-17)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23)/t10-/m0/s1
InChIKeyXSEUFQPBFFVRKZ-JTQLQIEISA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 164615018
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57309863
5-(2,6-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 136548160
N-[(2S)-1-[2-(3-aminopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 11496565
5-(2,4-difluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56980290
N-[(1R)-1-thiophen-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 56993245
5-(4-fluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 56996094
N-[(1S)-1-phenylethyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 57056599
5-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57083975
5-(2-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57152356
5-(4-fluorophenyl)-N-[(1R)-1-thiophen-3-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57162880
5-(2,4-difluorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57176693

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide (CID 57243430) is 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is C[C@H](NC(=O)c1nnc(-c2ccc(F)cc2F)s1)c1ccccc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XSEUFQPBFFVRKZ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F2N3OS/c1-10(11-5-3-2-4-6-11)20-15(23)17-22-21-16(24-17)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23)/t10-/m0/s1.
What are the key properties of 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 57243430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).