1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

C22H25N5OS — CID 653441

IUPAC1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H25N5OS/c1-17(2)21(22-23-24-25-27(22)14-18-8-4-3-5-9-18)26(15-19-10-6-12-28-19)16-20-11-7-13-29-20/h3-13,17,21H,14-16H2,1-2H3
InChIKeyUAHFRKWDYGVVSP-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.78
Rot. Bonds9

About 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine

1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 653441) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID653441
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)C(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C22H25N5OS/c1-17(2)21(22-23-24-25-27(22)14-18-8-4-3-5-9-18)26(15-19-10-6-12-28-19)16-20-11-7-13-29-20/h3-13,17,21H,14-16H2,1-2H3
InChIKeyUAHFRKWDYGVVSP-UHFFFAOYSA-N
XLogP4.78
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(1-tert-Butyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 644425
Furan-2-yl-{4-[phenyl-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-methanone
CID 646537
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-furan-2-ylmethyl-amine
CID 646725
Furan-2-yl-{4-[(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-piperazin-1-yl}-methanone
CID 648185
Furan-2-ylmethyl-{1-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiophen-2-ylmethyl-amine
CID 649280
3-{(Furan-2-ylmethyl-thiophen-2-ylmethyl-amino)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-7-methyl-1H-quinolin-2-one
CID 649438
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
Furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-[1-(toluene-4-sulfonylmethyl)-1H-tetrazol-5-ylmethyl]-amine
CID 651400
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
{4-[(2-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 656214
[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 3193712

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 653441) is 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(C)C(c1nnnn1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is UAHFRKWDYGVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-17(2)21(22-23-24-25-27(22)14-18-8-4-3-5-9-18)26(15-19-10-6-12-28-19)16-20-11-7-13-29-20/h3-13,17,21H,14-16H2,1-2H3.
What are the key properties of 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine?
1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 407.54 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 653441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).