1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine

C19H16F3N5OS — CID 60523402

IUPAC1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
SMILESFC(F)(F)c1ccc(-n2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H16F3N5OS/c20-19(21,22)14-5-7-15(8-6-14)27-18(23-24-25-27)13-26(11-16-3-1-9-28-16)12-17-4-2-10-29-17/h1-10H,11-13H2
InChIKeyBDRNXQZGZYLMKL-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.54
Rot. Bonds7

About 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine

1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine (PubChem CID 60523402) has the molecular formula C19H16F3N5OS and a molecular weight of 419.43 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
PubChem CID60523402
Molecular FormulaC19H16F3N5OS
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
SMILESFC(F)(F)c1ccc(-n2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C19H16F3N5OS/c20-19(21,22)14-5-7-15(8-6-14)27-18(23-24-25-27)13-26(11-16-3-1-9-28-16)12-17-4-2-10-29-17/h1-10H,11-13H2
InChIKeyBDRNXQZGZYLMKL-UHFFFAOYSA-N
XLogP4.54
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine (CID 60523402) is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine is FC(F)(F)c1ccc(-n2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine?
The InChIKey is BDRNXQZGZYLMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5OS/c20-19(21,22)14-5-7-15(8-6-14)27-18(23-24-25-27)13-26(11-16-3-1-9-28-16)12-17-4-2-10-29-17/h1-10H,11-13H2.
What are the key properties of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine?
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine has a molecular weight of 419.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 60523402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).