2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C20H15F3N6OS — CID 99172770

IUPAC2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F3N6OS/c21-20(22,23)15-8-4-5-13(9-15)10-16-11-24-19(31-16)25-17(30)12-29-27-18(26-28-29)14-6-2-1-3-7-14/h1-9,11H,10,12H2,(H,24,25,30)
InChIKeyXTIVXLJQZGLIFV-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.04
Rot. Bonds6

About 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 99172770) has the molecular formula C20H15F3N6OS and a molecular weight of 444.44 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID99172770
Molecular FormulaC20H15F3N6OS
Molecular Weight444.44 g/mol
Exact Mass444.10
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F3N6OS/c21-20(22,23)15-8-4-5-13(9-15)10-16-11-24-19(31-16)25-17(30)12-29-27-18(26-28-29)14-6-2-1-3-7-14/h1-9,11H,10,12H2,(H,24,25,30)
InChIKeyXTIVXLJQZGLIFV-UHFFFAOYSA-N
XLogP4.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 99172770) is 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XTIVXLJQZGLIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6OS/c21-20(22,23)15-8-4-5-13(9-15)10-16-11-24-19(31-16)25-17(30)12-29-27-18(26-28-29)14-6-2-1-3-7-14/h1-9,11H,10,12H2,(H,24,25,30).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 444.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 99172770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).