4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

C18H12F3N5OS2 — CID 2811544

IUPAC4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C18H12F3N5OS2/c1-10-16(29-25-23-10)17(27)22-11-4-6-12(7-5-11)26-13(14-3-2-8-28-14)9-15(24-26)18(19,20)21/h2-9H,1H3,(H,22,27)
InChIKeyRVCBIBPOXAAWTI-UHFFFAOYSA-N
MW435.46 g/mol
LogP5.03
Rot. Bonds4

About 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (PubChem CID 2811544) has the molecular formula C18H12F3N5OS2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
PubChem CID2811544
Molecular FormulaC18H12F3N5OS2
Molecular Weight435.46 g/mol
Exact Mass435.04
IUPAC Name4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
InChIInChI=1S/C18H12F3N5OS2/c1-10-16(29-25-23-10)17(27)22-11-4-6-12(7-5-11)26-13(14-3-2-8-28-14)9-15(24-26)18(19,20)21/h2-9H,1H3,(H,22,27)
InChIKeyRVCBIBPOXAAWTI-UHFFFAOYSA-N
XLogP5.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (CID 2811544) is 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is RVCBIBPOXAAWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS2/c1-10-16(29-25-23-10)17(27)22-11-4-6-12(7-5-11)26-13(14-3-2-8-28-14)9-15(24-26)18(19,20)21/h2-9H,1H3,(H,22,27).
What are the key properties of 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 2811544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).