N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine

C25H24N6OS — CID 650607

IUPACN-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C25H24N6OS/c1-2-8-20(9-3-1)13-15-31-25(27-28-29-31)24(23-12-4-5-14-26-23)30(18-21-10-6-16-32-21)19-22-11-7-17-33-22/h1-12,14,16-17,24H,13,15,18-19H2
InChIKeyBDTWTCUTUINKFM-UHFFFAOYSA-N
MW456.58 g/mol
LogP4.76
Rot. Bonds10

About N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine

N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 650607) has the molecular formula C25H24N6OS and a molecular weight of 456.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID650607
Molecular FormulaC25H24N6OS
Molecular Weight456.58 g/mol
Exact Mass456.17
IUPAC NameN-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C25H24N6OS/c1-2-8-20(9-3-1)13-15-31-25(27-28-29-31)24(23-12-4-5-14-26-23)30(18-21-10-6-16-32-21)19-22-11-7-17-33-22/h1-12,14,16-17,24H,13,15,18-19H2
InChIKeyBDTWTCUTUINKFM-UHFFFAOYSA-N
XLogP4.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine (CID 650607) is N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine is c1ccc(CCn2nnnc2C(c2ccccn2)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BDTWTCUTUINKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS/c1-2-8-20(9-3-1)13-15-31-25(27-28-29-31)24(23-12-4-5-14-26-23)30(18-21-10-6-16-32-21)19-22-11-7-17-33-22/h1-12,14,16-17,24H,13,15,18-19H2.
What are the key properties of N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine?
N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 456.58 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[1-(2-phenylethyl)tetrazol-5-yl]-1-pyridin-2-yl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 650607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).