1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine

C9H13N3S — CID 105158343

IUPAC1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1snnc1C
InChIInChI=1S/C9H13N3S/c1-4-6-10-8(5-2)9-7(3)11-12-13-9/h2,8,10H,4,6H2,1,3H3
InChIKeyNGPPIXRHOYIKSR-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.52
Rot. Bonds4

About 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine

1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine (PubChem CID 105158343) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
PubChem CID105158343
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1snnc1C
InChIInChI=1S/C9H13N3S/c1-4-6-10-8(5-2)9-7(3)11-12-13-9/h2,8,10H,4,6H2,1,3H3
InChIKeyNGPPIXRHOYIKSR-UHFFFAOYSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.52
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

1-(3,6-dimethylpyridazin-4-yl)-N-propylprop-2-yn-1-amine
CID 105158444
4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
CID 105182615
N-[(3-bromo-2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944775
N-[(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 105150034
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105168373
N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105154525
1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
CID 104995757
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
CID 105158304
N-ethyl-1-(4-methylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161188
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine (CID 105158343) is 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1snnc1C.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is NGPPIXRHOYIKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-4-6-10-8(5-2)9-7(3)11-12-13-9/h2,8,10H,4,6H2,1,3H3.
What are the key properties of 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine?
1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 195.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 105158343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).