N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine

C10H17N3S — CID 105182650

IUPACN-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cnsn1
InChIInChI=1S/C10H17N3S/c1-4-11-9(6-5-8(2)3)10-7-12-14-13-10/h7,9,11H,2,4-6H2,1,3H3
InChIKeyZNXWVISJZZDIKC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine

N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine (PubChem CID 105182650) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
PubChem CID105182650
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1cnsn1
InChIInChI=1S/C10H17N3S/c1-4-11-9(6-5-8(2)3)10-7-12-14-13-10/h7,9,11H,2,4-6H2,1,3H3
InChIKeyZNXWVISJZZDIKC-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
N-ethyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-amine
CID 105108416
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656
4,4-dimethyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105140099
1-(5-bromothiophen-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114474799
3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
CID 105110023
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105163885
N-ethyl-1-(5-methoxy-1-methylpyrazol-3-yl)-4-methylpent-4-en-1-amine
CID 114255542
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843
N,2-diethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105168600
N-ethyl-4-methyl-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 105039596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine (CID 105182650) is N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine is C=C(C)CCC(NCC)c1cnsn1.
What is the InChIKey of N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine?
The InChIKey is ZNXWVISJZZDIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-11-9(6-5-8(2)3)10-7-12-14-13-10/h7,9,11H,2,4-6H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine?
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 105182650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).