3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline

C12H11N5S — CID 43683952

IUPAC3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(NCc2ccsc2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H11N5S/c1-2-11(13-7-10-4-5-18-8-10)6-12(3-1)17-9-14-15-16-17/h1-6,8-9,13H,7H2
InChIKeyQFLBSIUICIWOOR-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.34
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline

3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43683952) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID43683952
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESc1cc(NCc2ccsc2)cc(-n2cnnn2)c1
InChIInChI=1S/C12H11N5S/c1-2-11(13-7-10-4-5-18-8-10)6-12(3-1)17-9-14-15-16-17/h1-6,8-9,13H,7H2
InChIKeyQFLBSIUICIWOOR-UHFFFAOYSA-N
XLogP2.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43683929
N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375
3-(tetrazol-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62475298
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
N-[(3-methyloxetan-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 107234994
N-(thiophen-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866352
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline (CID 43683952) is 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline is c1cc(NCc2ccsc2)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is QFLBSIUICIWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-2-11(13-7-10-4-5-18-8-10)6-12(3-1)17-9-14-15-16-17/h1-6,8-9,13H,7H2.
What are the key properties of 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline?
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 257.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43683952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).