1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine

C15H18N6O2S — CID 4727415

IUPAC1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine
SMILESCCOc1cc(CNn2nnnc2N)ccc1OCc1cccs1
InChIInChI=1S/C15H18N6O2S/c1-2-22-14-8-11(9-17-21-15(16)18-19-20-21)5-6-13(14)23-10-12-4-3-7-24-12/h3-8,17H,2,9-10H2,1H3,(H2,16,18,20)
InChIKeyUIWYWZADLVHXPR-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.04
Rot. Bonds8

About 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine

1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727415) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727415
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine
SMILESCCOc1cc(CNn2nnnc2N)ccc1OCc1cccs1
InChIInChI=1S/C15H18N6O2S/c1-2-22-14-8-11(9-17-21-15(16)18-19-20-21)5-6-13(14)23-10-12-4-3-7-24-12/h3-8,17H,2,9-10H2,1H3,(H2,16,18,20)
InChIKeyUIWYWZADLVHXPR-UHFFFAOYSA-N
XLogP2.04
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17331729
1-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4725530
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
CID 4715972
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179
(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
CID 8621370
N-(1H-benzimidazol-2-ylmethyl)-1-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine
CID 9113063
1-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716154

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine (CID 4727415) is 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine is CCOc1cc(CNn2nnnc2N)ccc1OCc1cccs1.
What is the InChIKey of 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is UIWYWZADLVHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-2-22-14-8-11(9-17-21-15(16)18-19-20-21)5-6-13(14)23-10-12-4-3-7-24-12/h3-8,17H,2,9-10H2,1H3,(H2,16,18,20).
What are the key properties of 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 346.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).