4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

C14H10F3N5OS — CID 44588899

IUPAC4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H10F3N5OS/c1-8-12(24-21-19-8)13(23)18-9-2-4-10(5-3-9)22-7-6-11(20-22)14(15,16)17/h2-7H,1H3,(H,18,23)
InChIKeyBXPZVHTYWQHTRG-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (PubChem CID 44588899) has the molecular formula C14H10F3N5OS and a molecular weight of 353.33 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
PubChem CID44588899
Molecular FormulaC14H10F3N5OS
Molecular Weight353.33 g/mol
Exact Mass353.06
IUPAC Name4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H10F3N5OS/c1-8-12(24-21-19-8)13(23)18-9-2-4-10(5-3-9)22-7-6-11(20-22)14(15,16)17/h2-7H,1H3,(H,18,23)
InChIKeyBXPZVHTYWQHTRG-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (CID 44588899) is 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is BXPZVHTYWQHTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5OS/c1-8-12(24-21-19-8)13(23)18-9-2-4-10(5-3-9)22-7-6-11(20-22)14(15,16)17/h2-7H,1H3,(H,18,23).
What are the key properties of 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 44588899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).