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

C15H10F6N6OS — CID 25484161

IUPACN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H10F6N6OS/c16-14(17,18)9-1-8(2-10(4-9)15(19,20)21)3-11-5-22-13(29-11)24-12(28)6-27-7-23-25-26-27/h1-2,4-5,7H,3,6H2,(H,22,24,28)
InChIKeyOUEAXCXYIFHIIG-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.40
Rot. Bonds5

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

N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 25484161) has the molecular formula C15H10F6N6OS and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID25484161
Molecular FormulaC15H10F6N6OS
Molecular Weight436.34 g/mol
Exact Mass436.05
IUPAC NameN-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H10F6N6OS/c16-14(17,18)9-1-8(2-10(4-9)15(19,20)21)3-11-5-22-13(29-11)24-12(28)6-27-7-23-25-26-27/h1-2,4-5,7H,3,6H2,(H,22,24,28)
InChIKeyOUEAXCXYIFHIIG-UHFFFAOYSA-N
XLogP3.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 25484161) is N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OUEAXCXYIFHIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N6OS/c16-14(17,18)9-1-8(2-10(4-9)15(19,20)21)3-11-5-22-13(29-11)24-12(28)6-27-7-23-25-26-27/h1-2,4-5,7H,3,6H2,(H,22,24,28).
What are the key properties of N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 436.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 25484161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).