2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

C15H12F2N4OS2 — CID 510261

IUPAC2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2cccs2)s1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2N4OS2/c16-9-3-4-11(12(17)8-9)13(22)19-15-21-20-14(24-15)18-6-5-10-2-1-7-23-10/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21,22)
InChIKeyUPYNHAKYSVOFMF-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.78
Rot. Bonds6

About 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 510261) has the molecular formula C15H12F2N4OS2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID510261
Molecular FormulaC15H12F2N4OS2
Molecular Weight366.42 g/mol
Exact Mass366.04
IUPAC Name2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(NCCc2cccs2)s1)c1ccc(F)cc1F
InChIInChI=1S/C15H12F2N4OS2/c16-9-3-4-11(12(17)8-9)13(22)19-15-21-20-14(24-15)18-6-5-10-2-1-7-23-10/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21,22)
InChIKeyUPYNHAKYSVOFMF-UHFFFAOYSA-N
XLogP3.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide with MolForge

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Related Compounds

Bcr-abl Inhibitor II
CID 3320547
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 970312
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245900
N-(5-Cyclopentylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,4-difluoro-benzamide
CID 1470444
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 2201446
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 4573026
2,6-difluoro-N-{5-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 24892357
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 665223
N-(5-Cyclopropylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-2,4-difluoro-benzamide
CID 1462692

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide (CID 510261) is 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(NCCc2cccs2)s1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is UPYNHAKYSVOFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS2/c16-9-3-4-11(12(17)8-9)13(22)19-15-21-20-14(24-15)18-6-5-10-2-1-7-23-10/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21,22).
What are the key properties of 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide?
2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 510261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).