2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide

C17H12F2N4O2S — CID 46353728

IUPAC2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nnc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C17H12F2N4O2S/c18-11-3-1-10(2-4-11)9-20-14(24)16-22-23-17(26-16)15(25)21-13-7-5-12(19)6-8-13/h1-8H,9H2,(H,20,24)(H,21,25)
InChIKeyPPDAOMQOGUFFST-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.00
Rot. Bonds5

About 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide

2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46353728) has the molecular formula C17H12F2N4O2S and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46353728
Molecular FormulaC17H12F2N4O2S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nnc(C(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C17H12F2N4O2S/c18-11-3-1-10(2-4-11)9-20-14(24)16-22-23-17(26-16)15(25)21-13-7-5-12(19)6-8-13/h1-8H,9H2,(H,20,24)(H,21,25)
InChIKeyPPDAOMQOGUFFST-UHFFFAOYSA-N
XLogP3.00
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-fluorophenyl)-5-N-[(4-propan-2-yloxyphenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353780
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46327774
5-(aminomethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46318372
5-N-[[4-(dimethylamino)phenyl]methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353997
5-N-[(3-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353695
N-[(4-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 33270894
5-[[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319810
5-[[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46319988
N-(4-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099798
5-[[(4-fluorobenzoyl)amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099830
5-N-[(4-butoxyphenyl)methyl]-2-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353697

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46353728) is 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide is O=C(NCc1ccc(F)cc1)c1nnc(C(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is PPDAOMQOGUFFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2S/c18-11-3-1-10(2-4-11)9-20-14(24)16-22-23-17(26-16)15(25)21-13-7-5-12(19)6-8-13/h1-8H,9H2,(H,20,24)(H,21,25).
What are the key properties of 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide?
2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46353728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).