4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C14H10F3N5OS — CID 55718379

IUPAC4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H10F3N5OS/c15-14(16,17)12-20-21-13(24-12)19-11(23)10-3-1-9(2-4-10)7-22-6-5-18-8-22/h1-6,8H,7H2,(H,19,21,23)
InChIKeyZMJXWGBPCVTFEP-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.05
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 55718379) has the molecular formula C14H10F3N5OS and a molecular weight of 353.33 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID55718379
Molecular FormulaC14H10F3N5OS
Molecular Weight353.33 g/mol
Exact Mass353.06
IUPAC Name4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C14H10F3N5OS/c15-14(16,17)12-20-21-13(24-12)19-11(23)10-3-1-9(2-4-10)7-22-6-5-18-8-22/h1-6,8H,7H2,(H,19,21,23)
InChIKeyZMJXWGBPCVTFEP-UHFFFAOYSA-N
XLogP3.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 55718379) is 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ZMJXWGBPCVTFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5OS/c15-14(16,17)12-20-21-13(24-12)19-11(23)10-3-1-9(2-4-10)7-22-6-5-18-8-22/h1-6,8H,7H2,(H,19,21,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 353.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 55718379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).