N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C13H19N5O2S — CID 107202006

IUPACN-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCN(CCCCCO)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C13H19N5O2S/c1-17(7-3-2-4-8-19)12(20)10-18-15-13(14-16-18)11-6-5-9-21-11/h5-6,9,19H,2-4,7-8,10H2,1H3
InChIKeyMDWTWOAYVIFRGH-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.02
Rot. Bonds8

About N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 107202006) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID107202006
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESCN(CCCCCO)C(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C13H19N5O2S/c1-17(7-3-2-4-8-19)12(20)10-18-15-13(14-16-18)11-6-5-9-21-11/h5-6,9,19H,2-4,7-8,10H2,1H3
InChIKeyMDWTWOAYVIFRGH-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 107202006) is N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is CN(CCCCCO)C(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is MDWTWOAYVIFRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-17(7-3-2-4-8-19)12(20)10-18-15-13(14-16-18)11-6-5-9-21-11/h5-6,9,19H,2-4,7-8,10H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 107202006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).