3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine

C14H21N3S — CID 134232792

IUPAC3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3S/c1-3-5-12(4-2)6-7-15-10-13-11-17-8-9-18-14(17)16-13/h3,8-9,11-12,15H,1,4-7,10H2,2H3
InChIKeyDOTJECUIOWAXBS-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.48
Rot. Bonds8

About 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine

3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine (PubChem CID 134232792) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine
PubChem CID134232792
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine
SMILESC=CCC(CC)CCNCc1cn2ccsc2n1
InChIInChI=1S/C14H21N3S/c1-3-5-12(4-2)6-7-15-10-13-11-17-8-9-18-14(17)16-13/h3,8-9,11-12,15H,1,4-7,10H2,2H3
InChIKeyDOTJECUIOWAXBS-UHFFFAOYSA-N
XLogP3.48
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine?
The IUPAC name of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine (CID 134232792) is 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine.
What is the SMILES notation for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine?
The canonical SMILES for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine is C=CCC(CC)CCNCc1cn2ccsc2n1.
What is the InChIKey of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine?
The InChIKey is DOTJECUIOWAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-3-5-12(4-2)6-7-15-10-13-11-17-8-9-18-14(17)16-13/h3,8-9,11-12,15H,1,4-7,10H2,2H3.
What are the key properties of 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine?
3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)hex-5-en-1-amine is sourced from PubChem (CID 134232792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).