N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine

C10H17N3S — CID 105153417

IUPACN-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1snnc1C
InChIInChI=1S/C10H17N3S/c1-4-6-7-9(11-5-2)10-8(3)12-13-14-10/h4,9,11H,1,5-7H2,2-3H3
InChIKeyQKNAVEJPAMLAAM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine

N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine (PubChem CID 105153417) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
PubChem CID105153417
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1snnc1C
InChIInChI=1S/C10H17N3S/c1-4-6-7-9(11-5-2)10-8(3)12-13-14-10/h4,9,11H,1,5-7H2,2-3H3
InChIKeyQKNAVEJPAMLAAM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153409
N-ethyl-1-(4-methylthiadiazol-5-yl)prop-2-en-1-amine
CID 105161188
N-ethyl-1-(4-ethylthiadiazol-5-yl)hex-5-en-1-amine
CID 105153232
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
CID 105153420
2-cyclopentyl-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105138957
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
4-methyl-1-(4-methylthiadiazol-5-yl)-N-propylpent-4-en-1-amine
CID 105182615
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
N-methyl-1-(4-methylthiadiazol-5-yl)hexan-1-amine
CID 105129659
N-ethyl-1-(5-methylfuran-2-yl)pent-4-en-1-amine
CID 104987535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine (CID 105153417) is N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine is C=CCCC(NCC)c1snnc1C.
What is the InChIKey of N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
The InChIKey is QKNAVEJPAMLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-6-7-9(11-5-2)10-8(3)12-13-14-10/h4,9,11H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine?
N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.46, 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-methylthiadiazol-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).