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

C14H15N5OS — CID 19644544

IUPAC2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCn1nnc(NCc2ccccc2OCc2cccs2)n1
InChIInChI=1S/C14H15N5OS/c1-19-17-14(16-18-19)15-9-11-5-2-3-7-13(11)20-10-12-6-4-8-21-12/h2-8H,9-10H2,1H3,(H,15,17)
InChIKeyVNVFBCFSUMBYAU-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.46
Rot. Bonds6

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

2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (PubChem CID 19644544) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
PubChem CID19644544
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine
SMILESCn1nnc(NCc2ccccc2OCc2cccs2)n1
InChIInChI=1S/C14H15N5OS/c1-19-17-14(16-18-19)15-9-11-5-2-3-7-13(11)20-10-12-6-4-8-21-12/h2-8H,9-10H2,1H3,(H,15,17)
InChIKeyVNVFBCFSUMBYAU-UHFFFAOYSA-N
XLogP2.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-propyl-N-[2-(2-thienylmethoxy)benzyl]-1H-tetrazol-5-amine
CID 714668
7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
CID 665817
N-[5-bromo-2-(2-thienylmethoxy)benzyl]-2-methyl-2H-tetrazol-5-amine
CID 1017081
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-propyltetrazol-5-amine
CID 2084150
7-(2-Ethoxyphenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4413586
5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16583378
5-[(5-Fluoro-2-methoxyphenyl)methylsulfanyl]-1-(thiophen-2-ylmethyl)tetrazole
CID 17412989
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 18279765
2-Methyl-1-(thiophen-2-ylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111258977
2-Methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111893745
2-Methyl-1-(thiophen-3-ylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111941097
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]-2H-tetrazol-5-amine
CID 923752

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine (CID 19644544) is 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is Cn1nnc(NCc2ccccc2OCc2cccs2)n1.
What is the InChIKey of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
The InChIKey is VNVFBCFSUMBYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-19-17-14(16-18-19)15-9-11-5-2-3-7-13(11)20-10-12-6-4-8-21-12/h2-8H,9-10H2,1H3,(H,15,17).
What are the key properties of 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine?
2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine has a molecular weight of 301.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 19644544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).