1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole

C15H21N5OS — CID 86801021

IUPAC1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole
SMILESCCOc1ccccc1-n1nnnc1SCC1CCN(C)C1
InChIInChI=1S/C15H21N5OS/c1-3-21-14-7-5-4-6-13(14)20-15(16-17-18-20)22-11-12-8-9-19(2)10-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyPRDTXFJITOZIDS-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole

1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole (PubChem CID 86801021) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole
PubChem CID86801021
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole
SMILESCCOc1ccccc1-n1nnnc1SCC1CCN(C)C1
InChIInChI=1S/C15H21N5OS/c1-3-21-14-7-5-4-6-13(14)20-15(16-17-18-20)22-11-12-8-9-19(2)10-12/h4-7,12H,3,8-11H2,1-2H3
InChIKeyPRDTXFJITOZIDS-UHFFFAOYSA-N
XLogP2.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole 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

1-(azocan-1-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 26575522
5-[(4-chlorophenyl)methylsulfanyl]-1-(2-ethoxyphenyl)tetrazole
CID 2614031
3-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 29310629
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-ethylacetamide
CID 3648554
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 1452283
ethyl N-[2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetyl]carbamate
CID 2632750
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 41075430
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306552
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-ynylacetamide
CID 26575544
methyl 4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]benzoate
CID 2614039
N-(4-acetamidophenyl)-2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16537052
2-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 2613999

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole (CID 86801021) is 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole is CCOc1ccccc1-n1nnnc1SCC1CCN(C)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole?
The InChIKey is PRDTXFJITOZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-3-21-14-7-5-4-6-13(14)20-15(16-17-18-20)22-11-12-8-9-19(2)10-12/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole?
1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole has a molecular weight of 319.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methylsulfanyl]tetrazole is sourced from PubChem (CID 86801021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).