N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine

C13H13N5OS — CID 923752

IUPACN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine
SMILESc1csc(COc2ccc(CNc3nn[nH]n3)cc2)c1
InChIInChI=1S/C13H13N5OS/c1-2-12(20-7-1)9-19-11-5-3-10(4-6-11)8-14-13-15-17-18-16-13/h1-7H,8-9H2,(H2,14,15,16,17,18)
InChIKeyWGYMTQOLTCUDRP-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.45
Rot. Bonds6

About N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 923752) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID923752
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine
SMILESc1csc(COc2ccc(CNc3nn[nH]n3)cc2)c1
InChIInChI=1S/C13H13N5OS/c1-2-12(20-7-1)9-19-11-5-3-10(4-6-11)8-14-13-15-17-18-16-13/h1-7H,8-9H2,(H2,14,15,16,17,18)
InChIKeyWGYMTQOLTCUDRP-UHFFFAOYSA-N
XLogP2.45
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine (CID 923752) is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine is c1csc(COc2ccc(CNc3nn[nH]n3)cc2)c1.
What is the InChIKey of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is WGYMTQOLTCUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-12(20-7-1)9-19-11-5-3-10(4-6-11)8-14-13-15-17-18-16-13/h1-7H,8-9H2,(H2,14,15,16,17,18).
What are the key properties of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine?
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 287.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 923752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).