N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C13H19N5O2S — CID 103862002

IUPACN-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCC(CO)CCCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H19N5O2S/c1-10(8-19)3-2-5-14-12(20)7-18-16-13(15-17-18)11-4-6-21-9-11/h4,6,9-10,19H,2-3,5,7-8H2,1H3,(H,14,20)
InChIKeyLNDNMYMYILUOPI-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.93
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 103862002) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID103862002
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESCC(CO)CCCNC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C13H19N5O2S/c1-10(8-19)3-2-5-14-12(20)7-18-16-13(15-17-18)11-4-6-21-9-11/h4,6,9-10,19H,2-3,5,7-8H2,1H3,(H,14,20)
InChIKeyLNDNMYMYILUOPI-UHFFFAOYSA-N
XLogP0.93
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.93
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-3-yltetrazol-2-yl)acetamide
CID 107318628
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
N-[(E)-pent-3-enyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115628398
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128343
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
N-(4-fluorophenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128274
N-(2,3-dimethylphenyl)-2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]acetamide
CID 9128261

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 103862002) is N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is CC(CO)CCCNC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is LNDNMYMYILUOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10(8-19)3-2-5-14-12(20)7-18-16-13(15-17-18)11-4-6-21-9-11/h4,6,9-10,19H,2-3,5,7-8H2,1H3,(H,14,20).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 103862002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).