N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

C10H6F3N3OS — CID 1475489

IUPACN-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeySYVOBRRDUDGBOP-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.81
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 1475489) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID1475489
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC NameN-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17)
InChIKeySYVOBRRDUDGBOP-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 2739181
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]thiadiazole-4-carboxamide
CID 2739117
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
N-(4-Isopropylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 645728
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-p-tolyl-amide
CID 24792289
[1,2,3]Thiadiazole-4-carboxylic acid, (benzylcarbamoylmethyl)-(2-fluorophenyl)amide
CID 24792434
N-[4-(1,2,3-thiadiazol-4-ylcarbonylamino)phenyl]acetamide
CID 16015191
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-phenyl-amide
CID 24792276
[1,2,3]Thiadiazole-4-carboxylic acid (phenethylcarbamoyl-methyl)-(3-trifluoromethyl-phenyl)-amide
CID 24792284
[1,2,3]Thiadiazole-4-carboxylic acid (benzylcarbamoyl-methyl)-(2-trifluoromethyl-phenyl)-amide
CID 24792715
N-(2,4-dimethylphenyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454956

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 1475489) is N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1csnn1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is SYVOBRRDUDGBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c11-10(12,13)6-1-3-7(4-2-6)14-9(17)8-5-18-16-15-8/h1-5H,(H,14,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 273.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1475489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).