N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C13H19N5O2S — CID 107843843

IUPACN-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCCCCCCO
InChIInChI=1S/C13H19N5O2S/c19-8-4-2-1-3-7-14-12(20)10-18-16-13(15-17-18)11-6-5-9-21-11/h5-6,9,19H,1-4,7-8,10H2,(H,14,20)
InChIKeyULFVEGLRRXSNAE-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.07
Rot. Bonds9

About N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 107843843) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID107843843
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCCCCCCO
InChIInChI=1S/C13H19N5O2S/c19-8-4-2-1-3-7-14-12(20)10-18-16-13(15-17-18)11-6-5-9-21-11/h5-6,9,19H,1-4,7-8,10H2,(H,14,20)
InChIKeyULFVEGLRRXSNAE-UHFFFAOYSA-N
XLogP1.07
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107318928
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 66175567
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
1-[[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449963
N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107202006
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 107843843) is N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is ULFVEGLRRXSNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c19-8-4-2-1-3-7-14-12(20)10-18-16-13(15-17-18)11-6-5-9-21-11/h5-6,9,19H,1-4,7-8,10H2,(H,14,20).
What are the key properties of N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 107843843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).