3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline

C12H11N5S — CID 43732043

IUPAC3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESc1cc(NCc2cccs2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H11N5S/c1-3-9(12-14-16-17-15-12)7-10(4-1)13-8-11-5-2-6-18-11/h1-7,13H,8H2,(H,14,15,16,17)
InChIKeyVPAXJJPOJKSDIP-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.54
Rot. Bonds4

About 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline

3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 43732043) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
PubChem CID43732043
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
SMILESc1cc(NCc2cccs2)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H11N5S/c1-3-9(12-14-16-17-15-12)7-10(4-1)13-8-11-5-2-6-18-11/h1-7,13H,8H2,(H,14,15,16,17)
InChIKeyVPAXJJPOJKSDIP-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 115879496
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608500
4-methyl-2-[[3-(2H-tetrazol-5-yl)anilino]methyl]phenol
CID 63325066
3-(thiophen-2-ylmethylamino)benzoate
CID 6954625
5-(thiophen-2-ylmethylamino)benzene-1,3-dicarboxamide
CID 28711815
3-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 29299237
2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline (CID 43732043) is 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline is c1cc(NCc2cccs2)cc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is VPAXJJPOJKSDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-3-9(12-14-16-17-15-12)7-10(4-1)13-8-11-5-2-6-18-11/h1-7,13H,8H2,(H,14,15,16,17).
What are the key properties of 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline?
3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 257.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 43732043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).