4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline

C12H11N5OS — CID 39752340

IUPAC4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(CNc2ccc(Oc3nn[nH]n3)cc2)cs1
InChIInChI=1S/C12H11N5OS/c1-3-11(18-12-14-16-17-15-12)4-2-10(1)13-7-9-5-6-19-8-9/h1-6,8,13H,7H2,(H,14,15,16,17)
InChIKeyHUKADMHQBPVOKY-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.67
Rot. Bonds5

About 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline

4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 39752340) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline
PubChem CID39752340
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(CNc2ccc(Oc3nn[nH]n3)cc2)cs1
InChIInChI=1S/C12H11N5OS/c1-3-11(18-12-14-16-17-15-12)4-2-10(1)13-7-9-5-6-19-8-9/h1-6,8,13H,7H2,(H,14,15,16,17)
InChIKeyHUKADMHQBPVOKY-UHFFFAOYSA-N
XLogP2.67
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline (CID 39752340) is 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline is c1cc(CNc2ccc(Oc3nn[nH]n3)cc2)cs1.
What is the InChIKey of 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is HUKADMHQBPVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-3-11(18-12-14-16-17-15-12)4-2-10(1)13-7-9-5-6-19-8-9/h1-6,8,13H,7H2,(H,14,15,16,17).
What are the key properties of 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline?
4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 273.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yloxy)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 39752340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).