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

C15H12F3N5OS — CID 44588900

IUPAC4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H12F3N5OS/c1-8-7-12(15(16,17)18)21-23(8)11-5-3-10(4-6-11)19-14(24)13-9(2)20-22-25-13/h3-7H,1-2H3,(H,19,24)
InChIKeyQCZDAYIATRXJPL-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.61
Rot. Bonds3

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

4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (PubChem CID 44588900) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
PubChem CID44588900
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC Name4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H12F3N5OS/c1-8-7-12(15(16,17)18)21-23(8)11-5-3-10(4-6-11)19-14(24)13-9(2)20-22-25-13/h3-7H,1-2H3,(H,19,24)
InChIKeyQCZDAYIATRXJPL-UHFFFAOYSA-N
XLogP3.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.61
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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (CID 44588900) is 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is QCZDAYIATRXJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-8-7-12(15(16,17)18)21-23(8)11-5-3-10(4-6-11)19-14(24)13-9(2)20-22-25-13/h3-7H,1-2H3,(H,19,24).
What are the key properties of 4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.61, 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 44588900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).