N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide

C15H13F3N6OS — CID 71071512

IUPACN-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H13F3N6OS/c1-9-14(21-12(25)7-24-8-19-22-23-24)26-13(20-9)6-10-3-2-4-11(5-10)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,25)
InChIKeyQOYNYXONEMAJSE-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.69
Rot. Bonds5

About N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide

N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 71071512) has the molecular formula C15H13F3N6OS and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID71071512
Molecular FormulaC15H13F3N6OS
Molecular Weight382.37 g/mol
Exact Mass382.08
IUPAC NameN-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H13F3N6OS/c1-9-14(21-12(25)7-24-8-19-22-23-24)26-13(20-9)6-10-3-2-4-11(5-10)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,25)
InChIKeyQOYNYXONEMAJSE-UHFFFAOYSA-N
XLogP2.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088334
1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide
CID 71071195
N-[2-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide
CID 71071566
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 17532622
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 17560365
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 25484161
2-(tetrazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 41753592
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 60409780
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 60531844
N-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 122139551
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088331

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide (CID 71071512) is N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide is Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is QOYNYXONEMAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6OS/c1-9-14(21-12(25)7-24-8-19-22-23-24)26-13(20-9)6-10-3-2-4-11(5-10)15(16,17)18/h2-5,8H,6-7H2,1H3,(H,21,25).
What are the key properties of N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide?
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71071512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).