1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine

C22H24N6OS — CID 3193668

IUPAC1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1cncc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C2CCCC2)c1
InChIInChI=1S/C22H24N6OS/c1-2-8-18(7-1)28-22(24-25-26-28)21(20-10-5-13-30-20)27(16-19-9-4-12-29-19)15-17-6-3-11-23-14-17/h3-6,9-14,18,21H,1-2,7-8,15-16H2
InChIKeyOCGXQZBEFIWHNM-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.63
Rot. Bonds8

About 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine

1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 3193668) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID3193668
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC Name1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1cncc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C2CCCC2)c1
InChIInChI=1S/C22H24N6OS/c1-2-8-18(7-1)28-22(24-25-26-28)21(20-10-5-13-30-20)27(16-19-9-4-12-29-19)15-17-6-3-11-23-14-17/h3-6,9-14,18,21H,1-2,7-8,15-16H2
InChIKeyOCGXQZBEFIWHNM-UHFFFAOYSA-N
XLogP4.63
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 3193668) is 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is c1cncc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C2CCCC2)c1.
What is the InChIKey of 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is OCGXQZBEFIWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-2-8-18(7-1)28-22(24-25-26-28)21(20-10-5-13-30-20)27(16-19-9-4-12-29-19)15-17-6-3-11-23-14-17/h3-6,9-14,18,21H,1-2,7-8,15-16H2.
What are the key properties of 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 420.54 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 3193668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).