N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide

C13H7ClFN3OS2 — CID 100752070

IUPACN-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1cccs1
InChIInChI=1S/C13H7ClFN3OS2/c14-8-6-7(3-4-9(8)15)16-13(19)12-11(17-18-21-12)10-2-1-5-20-10/h1-6H,(H,16,19)
InChIKeyWYGGPGAXOHREFN-UHFFFAOYSA-N
MW339.80 g/mol
LogP4.31
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide

N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide (PubChem CID 100752070) has the molecular formula C13H7ClFN3OS2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
PubChem CID100752070
Molecular FormulaC13H7ClFN3OS2
Molecular Weight339.80 g/mol
Exact Mass338.97
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1cccs1
InChIInChI=1S/C13H7ClFN3OS2/c14-8-6-7(3-4-9(8)15)16-13(19)12-11(17-18-21-12)10-2-1-5-20-10/h1-6H,(H,16,19)
InChIKeyWYGGPGAXOHREFN-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
3-[2-[(3-chloro-4-fluorophenyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid
CID 77007757
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767937
N-(3-chloro-4-fluorophenyl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide
CID 18288671
N-(3-chloro-4-fluorophenyl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 50838618
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047822

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide (CID 100752070) is N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1cccs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The InChIKey is WYGGPGAXOHREFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3OS2/c14-8-6-7(3-4-9(8)15)16-13(19)12-11(17-18-21-12)10-2-1-5-20-10/h1-6H,(H,16,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 100752070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).