2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline

C14H15N5S — CID 43700233

IUPAC2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1sccc1C
InChIInChI=1S/C14H15N5S/c1-10-3-4-12(19-9-16-17-18-19)7-13(10)15-8-14-11(2)5-6-20-14/h3-7,9,15H,8H2,1-2H3
InChIKeyJQRABCJVJMJYAA-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline

2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 43700233) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID43700233
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCc1sccc1C
InChIInChI=1S/C14H15N5S/c1-10-3-4-12(19-9-16-17-18-19)7-13(10)15-8-14-11(2)5-6-20-14/h3-7,9,15H,8H2,1-2H3
InChIKeyJQRABCJVJMJYAA-UHFFFAOYSA-N
XLogP2.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
CID 66386543
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 115380162
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
N-[(3-bromophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700172
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 79570692
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline (CID 43700233) is 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCc1sccc1C.
What is the InChIKey of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is JQRABCJVJMJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-3-4-12(19-9-16-17-18-19)7-13(10)15-8-14-11(2)5-6-20-14/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 285.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43700233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).