4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

C9H6FN3OS — CID 11322035

IUPAC4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)c1nsnc1-c1ccc(F)cc1
InChIInChI=1S/C9H6FN3OS/c10-6-3-1-5(2-4-6)7-8(9(11)14)13-15-12-7/h1-4H,(H2,11,14)
InChIKeyRMJLKEGGLXCAEY-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.44
Rot. Bonds2

About 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 11322035) has the molecular formula C9H6FN3OS and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID11322035
Molecular FormulaC9H6FN3OS
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC Name4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)c1nsnc1-c1ccc(F)cc1
InChIInChI=1S/C9H6FN3OS/c10-6-3-1-5(2-4-6)7-8(9(11)14)13-15-12-7/h1-4H,(H2,11,14)
InChIKeyRMJLKEGGLXCAEY-UHFFFAOYSA-N
XLogP1.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 11367830
1-(difluoromethyl)-3-(4-fluorophenyl)pyrazole-4-carboxamide
CID 86721236
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
5-(4-fluorophenyl)pyridine-2-carboxamide
CID 150496667
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 117167849
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174038
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 175825964
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229
5-(4-fluorophenyl)-2-methylsulfinyl-1,3-oxazole-4-carboxamide
CID 140649788

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide (CID 11322035) is 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is NC(=O)c1nsnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RMJLKEGGLXCAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3OS/c10-6-3-1-5(2-4-6)7-8(9(11)14)13-15-12-7/h1-4H,(H2,11,14).
What are the key properties of 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide?
4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 11322035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).