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

C9H15N3S — CID 105153420

IUPACN-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1cnns1
InChIInChI=1S/C9H15N3S/c1-3-5-6-8(10-4-2)9-7-11-12-13-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyRYIVHNKQOVSABU-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.15
Rot. Bonds6

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

N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine (PubChem CID 105153420) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
PubChem CID105153420
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)c1cnns1
InChIInChI=1S/C9H15N3S/c1-3-5-6-8(10-4-2)9-7-11-12-13-9/h3,7-8,10H,1,4-6H2,2H3
InChIKeyRYIVHNKQOVSABU-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.15
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-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105083153
N-methyl-1-(thiadiazol-5-yl)oct-7-en-1-amine
CID 107011981
N-ethyl-1-(4-methylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153417
1-(5-chlorothiophen-2-yl)-N-ethylpent-4-en-1-amine
CID 104987378
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
N-ethyl-1-(thiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137529
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
N-ethyl-1-(1,3-thiazol-5-yl)oct-7-en-1-amine
CID 107009508
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105175015
1-(3,5-dibromophenyl)-N-ethylpent-4-en-1-amine
CID 107975611
1-(2,5-dichlorothiophen-3-yl)-N-ethylpent-4-en-1-amine
CID 107968368

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine (CID 105153420) is N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine is C=CCCC(NCC)c1cnns1.
What is the InChIKey of N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine?
The InChIKey is RYIVHNKQOVSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-5-6-8(10-4-2)9-7-11-12-13-9/h3,7-8,10H,1,4-6H2,2H3.
What are the key properties of N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine?
N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine has a molecular weight of 197.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiadiazol-5-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).