1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole

C19H23N5S — CID 653829

IUPAC1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole
SMILESCCC(C)(C)n1nnnc1C(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C19H23N5S/c1-4-19(2,3)24-18(20-21-22-24)17(16-10-7-13-25-16)23-12-11-14-8-5-6-9-15(14)23/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyBCZIKNVYGZBYHW-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.03
Rot. Bonds5

About 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole

1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole (PubChem CID 653829) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole
PubChem CID653829
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole
SMILESCCC(C)(C)n1nnnc1C(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C19H23N5S/c1-4-19(2,3)24-18(20-21-22-24)17(16-10-7-13-25-16)23-12-11-14-8-5-6-9-15(14)23/h5-10,13,17H,4,11-12H2,1-3H3
InChIKeyBCZIKNVYGZBYHW-UHFFFAOYSA-N
XLogP4.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole with MolForge

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Related Compounds

1-[(1-Tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 645264
Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 3210291
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11719753
1-(4-Fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine
CID 649400
1-(2-Fluoro-phenyl)-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 6603087
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline
CID 648445
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-phenyl-piperazine
CID 3193612
2-[4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-1-yl]-3H-indole
CID 127039769
US10174011, Example 138
CID 138374889
1-[2-Methyl-1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 653741
Cambridge id 5781657
CID 2867840

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole?
The IUPAC name of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole (CID 653829) is 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole?
The canonical SMILES for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole is CCC(C)(C)n1nnnc1C(c1cccs1)N1CCc2ccccc21.
What is the InChIKey of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole?
The InChIKey is BCZIKNVYGZBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-4-19(2,3)24-18(20-21-22-24)17(16-10-7-13-25-16)23-12-11-14-8-5-6-9-15(14)23/h5-10,13,17H,4,11-12H2,1-3H3.
What are the key properties of 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole?
1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole has a molecular weight of 353.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]-2,3-dihydroindole is sourced from PubChem (CID 653829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).