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

C24H22N6OS — CID 3193670

IUPAC1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1ccc(Cn2nnnc2C(c2cccs2)N(Cc2cccnc2)Cc2ccco2)cc1
InChIInChI=1S/C24H22N6OS/c1-2-7-19(8-3-1)17-30-24(26-27-28-30)23(22-11-6-14-32-22)29(18-21-10-5-13-31-21)16-20-9-4-12-25-15-20/h1-15,23H,16-18H2
InChIKeyIWYKLHLVJGBWQE-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.56
Rot. Bonds9

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

1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 3193670) has the molecular formula C24H22N6OS and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID3193670
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1ccc(Cn2nnnc2C(c2cccs2)N(Cc2cccnc2)Cc2ccco2)cc1
InChIInChI=1S/C24H22N6OS/c1-2-7-19(8-3-1)17-30-24(26-27-28-30)23(22-11-6-14-32-22)29(18-21-10-5-13-31-21)16-20-9-4-12-25-15-20/h1-15,23H,16-18H2
InChIKeyIWYKLHLVJGBWQE-UHFFFAOYSA-N
XLogP4.56
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-benzyl-1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 1438997
7-[(S)-(1-benzyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1074636
3-[(1-benzyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3187545
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3150087
3-[[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3187215
furan-2-ylmethyl-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-(pyridin-3-ylmethyl)azanium
CID 7140903
(1R)-1-(1-benzyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-methylpropan-1-amine
CID 1439024
3-[[benzyl(furan-2-ylmethyl)amino]-(1-benzyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3187444
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 3193663
3-[(R)-[benzyl(furan-2-ylmethyl)amino]-(1-benzyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 1373716
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923
3-[(R)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40591706

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine (CID 3193670) is 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is c1ccc(Cn2nnnc2C(c2cccs2)N(Cc2cccnc2)Cc2ccco2)cc1.
What is the InChIKey of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is IWYKLHLVJGBWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-2-7-19(8-3-1)17-30-24(26-27-28-30)23(22-11-6-14-32-22)29(18-21-10-5-13-31-21)16-20-9-4-12-25-15-20/h1-15,23H,16-18H2.
What are the key properties of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine?
1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 442.55 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 3193670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).