N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine

C17H21N5O2S — CID 2084150

IUPACN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(OCc3cccs3)c(OC)c2)n1
InChIInChI=1S/C17H21N5O2S/c1-3-8-22-20-17(19-21-22)18-11-13-6-7-15(16(10-13)23-2)24-12-14-5-4-9-25-14/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,18,20)
InChIKeyAJAXKIGMVBKMDO-UHFFFAOYSA-N
MW359.46 g/mol
LogP3.34
Rot. Bonds9

About N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine

N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine (PubChem CID 2084150) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine
PubChem CID2084150
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine
SMILESCCCn1nnc(NCc2ccc(OCc3cccs3)c(OC)c2)n1
InChIInChI=1S/C17H21N5O2S/c1-3-8-22-20-17(19-21-22)18-11-13-6-7-15(16(10-13)23-2)24-12-14-5-4-9-25-14/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,18,20)
InChIKeyAJAXKIGMVBKMDO-UHFFFAOYSA-N
XLogP3.34
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine?
The IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine (CID 2084150) is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine.
What is the SMILES notation for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine?
The canonical SMILES for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine is CCCn1nnc(NCc2ccc(OCc3cccs3)c(OC)c2)n1.
What is the InChIKey of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine?
The InChIKey is AJAXKIGMVBKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-3-8-22-20-17(19-21-22)18-11-13-6-7-15(16(10-13)23-2)24-12-14-5-4-9-25-14/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine?
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine has a molecular weight of 359.46 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine is sourced from PubChem (CID 2084150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).