1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

C23H27N5OS — CID 644425

IUPAC1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc(C(c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C23H27N5OS/c1-17-9-11-18(12-10-17)21(22-24-25-26-28(22)23(2,3)4)27(15-19-7-5-13-29-19)16-20-8-6-14-30-20/h5-14,21H,15-16H2,1-4H3
InChIKeyGWPBJZLTYMUVMV-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.18
Rot. Bonds7

About 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 644425) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID644425
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc(C(c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C23H27N5OS/c1-17-9-11-18(12-10-17)21(22-24-25-26-28(22)23(2,3)4)27(15-19-7-5-13-29-19)16-20-8-6-14-30-20/h5-14,21H,15-16H2,1-4H3
InChIKeyGWPBJZLTYMUVMV-UHFFFAOYSA-N
XLogP5.18
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine 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

3-(2,5-Dimethyl-benzylsulfanyl)-4-furan-2-ylmethyl-5-thiophen-2-yl-4H-[1,2,4]triazole
CID 4615252
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
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 653441
{4-[(2-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 656214
(4-tert-Butyl-benzyl)-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-furan-2-ylmethyl-amine
CID 1439003
{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-furan-2-ylmethyl-thiophen-2-ylmethyl-amine
CID 3193727
Furan-2-yl-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 3210215
Furan-2-yl-[4-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 3210233

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 644425) is 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is Cc1ccc(C(c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is GWPBJZLTYMUVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-17-9-11-18(12-10-17)21(22-24-25-26-28(22)23(2,3)4)27(15-19-7-5-13-29-19)16-20-8-6-14-30-20/h5-14,21H,15-16H2,1-4H3.
What are the key properties of 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 421.57 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 644425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).