N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine

C8H11N3S — CID 105149257

IUPACN-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)c1cnns1
InChIInChI=1S/C8H11N3S/c1-3-4-5-7(9-2)8-6-10-11-12-8/h1,6-7,9H,4-5H2,2H3
InChIKeyFOOATLTUZUAQTL-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine

N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine (PubChem CID 105149257) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine
PubChem CID105149257
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC NameN-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine
SMILESC#CCCC(NC)c1cnns1
InChIInChI=1S/C8H11N3S/c1-3-4-5-7(9-2)8-6-10-11-12-8/h1,6-7,9H,4-5H2,2H3
InChIKeyFOOATLTUZUAQTL-UHFFFAOYSA-N
XLogP1.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
N-methyl-1-(thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147974
N-methyl-4-methylsulfonyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105113544
N-methyl-3-(2-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)propan-1-amine
CID 103030587
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
2-(5-ethylthiophen-2-yl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105136127
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105188368
2-(2,5-difluorophenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105105424
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine
CID 63656286
1-(4-iodophenyl)-N-methylpent-4-yn-1-amine
CID 115859296
N-methyl-1-pyrimidin-4-ylpent-4-yn-1-amine
CID 63988752

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine (CID 105149257) is N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine is C#CCCC(NC)c1cnns1.
What is the InChIKey of N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine?
The InChIKey is FOOATLTUZUAQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-3-4-5-7(9-2)8-6-10-11-12-8/h1,6-7,9H,4-5H2,2H3.
What are the key properties of N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine?
N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine has a molecular weight of 181.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiadiazol-5-yl)pent-4-yn-1-amine is sourced from PubChem (CID 105149257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).