N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine

C10H17N3S — CID 105161121

IUPACN-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1snnc1CCC
InChIInChI=1S/C10H17N3S/c1-4-7-9-10(14-13-12-9)8(5-2)11-6-3/h5,8,11H,2,4,6-7H2,1,3H3
InChIKeySQCPSRRTXGDVOS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.33
Rot. Bonds6

About N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine

N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine (PubChem CID 105161121) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine
PubChem CID105161121
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1snnc1CCC
InChIInChI=1S/C10H17N3S/c1-4-7-9-10(14-13-12-9)8(5-2)11-6-3/h5,8,11H,2,4,6-7H2,1,3H3
InChIKeySQCPSRRTXGDVOS-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(4-methylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161188
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
1-(4-propylthiadiazol-5-yl)ethylhydrazine
CID 105282561
N-[(4-ethylphenyl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105121449
[2-methyl-1-(4-propylthiadiazol-5-yl)prop-2-enyl]hydrazine
CID 105320041
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105158535
2-ethyl-1-(4-propylthiadiazol-5-yl)butan-1-ol
CID 105114699
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118
N-ethyl-4-methylsulfonyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105112917
N-ethyl-2-(5-ethyl-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105168867
3-methyl-1-(4-propylthiadiazol-5-yl)but-3-en-1-amine
CID 105163170

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine (CID 105161121) is N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine is C=CC(NCC)c1snnc1CCC.
What is the InChIKey of N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine?
The InChIKey is SQCPSRRTXGDVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-7-9-10(14-13-12-9)8(5-2)11-6-3/h5,8,11H,2,4,6-7H2,1,3H3.
What are the key properties of N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine?
N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propylthiadiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 105161121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).