2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine

C16H19N5OS — CID 19644451

IUPAC2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCCCn1nnc(NCc2ccccc2OCc2cccs2)n1
InChIInChI=1S/C16H19N5OS/c1-2-9-21-19-16(18-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,19)
InChIKeyMVTGYLSTQOJHAV-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.34
Rot. Bonds8

About 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine

2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (PubChem CID 19644451) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
PubChem CID19644451
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCCCn1nnc(NCc2ccccc2OCc2cccs2)n1
InChIInChI=1S/C16H19N5OS/c1-2-9-21-19-16(18-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,19)
InChIKeyMVTGYLSTQOJHAV-UHFFFAOYSA-N
XLogP3.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (CID 19644451) is 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is CCCn1nnc(NCc2ccccc2OCc2cccs2)n1.
What is the InChIKey of 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The InChIKey is MVTGYLSTQOJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-2-9-21-19-16(18-20-21)17-11-13-6-3-4-8-15(13)22-12-14-7-5-10-23-14/h3-8,10H,2,9,11-12H2,1H3,(H,17,19).
What are the key properties of 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine has a molecular weight of 329.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 19644451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).